813	519	679	0:SP2_SP2_SP3	N[5a,5a]	N[5a]	B[5a]	3:4:2:	3:3:	3:3:3:3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C)	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>}	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	132.0980	0.000	2	132.0980	0.000	2	133.5397	6.235	3	133.5397	6.235	3	133.5397	6.235	3	127.5586	70.193	5
813	519	679	0:SP2_SP2_SP3	N[5a,5a]	N[5a]	B[5a]	3:4:2:	3:3:	3:3:3:3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a,6]-3:C[6a]-3:C[6a]-3:	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C)	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,6|C<3>}	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C){1|N<3>,3|C<3>}	B[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)2{1|N<2>,5|H<1>,7|C<3>}	136.4230	0.000	1	136.4230	0.000	1	133.5397	6.235	3	133.5397	6.235	3	133.5397	6.235	3	127.5586	70.193	5
813	519	679	0:SP2_SP2_SP3	N[5a]	N[5a]	B[5a]	4:3:2:	3:3:	3:3:4:3:	B[5a]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:N[5a]-4:C[6a]-3:	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]B[5a]C[5a])(C[5a]C[5a]H)	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2)	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](N[5a]B[5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	B[5a](N[5,5a]N[5,5a]C[5])(N[5a]C[5a]N[5a])(N[5a]B[5a]CH)(C[6a]C[6a]2){1|N<3>,4|H<1>,7|C<3>}	118.5870	0.052	2	118.5870	0.003	2	118.5870	0.003	2	118.5870	0.003	2	118.5870	0.003	2	127.5586	70.193	5
813	519	679	5:SP2_SP2_SP3	N[5a]	N[5a]	B[5a]	4:2:3:	3:3:	3:2:1:1:	B[5a]-4:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CCH){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	109.4055	0.305	2	109.4055	0.093	2	109.5452	0.609	9	109.5452	0.609	9	110.7420	3.924	13	110.7420	3.924	13
813	519	679	5:SP2_SP2_SP3	N[5a]	N[5a]	B[5a]	4:2:3:	3:3:	3:2:1:1:	B[5a]-4:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[5a]H){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	109.5903	1.191	3	109.5903	1.418	3	109.5452	0.609	9	109.5452	0.609	9	110.7420	3.924	13	110.7420	3.924	13
813	519	679	5:SP2_SP2_SP3	N[5a]	N[5a]	B[5a]	4:2:3:	3:3:	3:2:1:1:	B[5a]-4:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:F-1:F-1:	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H)	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C)	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2	N[5a](B[5a]O[5a]FF)(N[5a]C[5a])(CC[6a]H){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]B[5a]C){2|C<3>,2|F<1>}	B[5a](N[5a]N[5a]C)(O[5a]C[5a])(F)2{1|C<3>}	109.5812	0.794	4	109.5812	0.631	4	109.5452	0.609	9	109.5452	0.609	9	110.7420	3.924	13	110.7420	3.924	13
813	519	679	5:SP2_SP2_SP3	N[5a]	N[5a]	B[5a]	4:2:3:	3:3:	3:3:1:1:	B[5a]-4:N[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|C<4>,2|F<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	113.3545	0.411	2	113.4347	0.106	4	113.4347	0.106	4	113.4347	0.106	4	110.7420	3.924	13	110.7420	3.924	13
813	519	679	5:SP2_SP2_SP3	N[5a]	N[5a]	B[5a]	4:2:3:	3:3:	3:3:1:1:	B[5a]-4:N[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|H<1>,2|F<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|C<4>,4|C<3>}	113.2680	0.000	1	113.4347	0.106	4	113.4347	0.106	4	113.4347	0.106	4	110.7420	3.924	13	110.7420	3.924	13
813	519	679	5:SP2_SP2_SP3	N[5a]	N[5a]	B[5a]	4:2:3:	3:3:	3:3:1:1:	B[5a]-4:N[5a]-2:C[6a]-3:	C[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:N[5a]-3:F-1:F-1:	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2)	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a])	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2	N[5a](B[5a]N[5a,5a]FF)(N[5a]C[5a,5a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,5a]N[5a,5a]C[5a])(N[5a]B[5a]C[6a]){1|H<1>,2|F<1>,4|C<3>}	B[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]C[6a]N[5a])(F)2{1|N<2>,4|C<3>}	113.7620	0.000	1	113.4347	0.106	4	113.4347	0.106	4	113.4347	0.106	4	110.7420	3.924	13	110.7420	3.924	13
813	519	722	0:SP2_SP2_SPD5	N[5a]	N[5a]	Si[4,4]	5:3:2:	3:3:	5:3:3:3:1:	Si[4,4]-5:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:Cl-1:	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl)	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|N<3>}	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Cl<1>,1|Si<5>,1|C<4>,1|H<1>,2|N<3>}	Si[4,4](Si[4,4]N[4,5]2N[5a]Cl)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])(Cl){1|N<2>,3|C<4>,7|C<3>}	118.8880	0.000	2	118.8880	0.000	2	118.8880	0.000	2	118.8880	0.000	2	114.6090	12.377	6	114.6090	12.377	6
813	519	722	0:SP2_SP2_SPD5	N[5a]	N[5a]	Si[4,4]	5:3:2:	3:3:	5:3:3:3:3:	Si[4,4]-5:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	Si[4,4]-5:N[4,5]-3:N[4,5]-3:N[5a]-3:N[5a]-3:	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|N<3>}	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Si<5>,1|C<4>,1|H<1>,3|N<3>}	Si[4,4](Si[4,4]N[4,5]2N[5a]2)(N[4,5]N[4,5]C[5])2(N[5a]C[5a]N[5a])2{10|C<3>,2|N<2>,4|C<4>}	112.4695	1.522	4	112.4695	2.318	4	112.4695	2.318	4	112.4695	2.318	4	114.6090	12.377	6	114.6090	12.377	6
813	519	727	0:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,6a]	3:3:2:	3:2:	3:3:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	N[5,5a]-3:O[5a]-2:	N[5,5a]-3:C[5,6a]-3:C[6a]-3:	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a])	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a])	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5,6a](N[5,5a]C[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	129.9880	0.516	2	129.9880	0.266	2	129.9880	0.266	2	129.9880	0.266	2	129.9880	0.266	2	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]){4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	133.6810	0.000	1	134.1770	0.260	3	134.1770	0.260	3	134.1770	0.260	3	136.2065	13.625	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]){4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	134.4250	0.387	2	134.1770	0.260	3	134.1770	0.260	3	134.1770	0.260	3	136.2065	13.625	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	130.0440	0.000	1	130.0440	0.000	1	137.4532	25.024	4	137.4242	18.772	5	136.2065	13.625	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	139.7870	0.000	1	139.4085	0.287	2	137.4532	25.024	4	137.4242	18.772	5	136.2065	13.625	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	139.0300	0.000	1	139.4085	0.287	2	137.4532	25.024	4	137.4242	18.772	5	136.2065	13.625	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|O<2>,4|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	140.9520	0.000	1	140.9520	0.000	1	137.4532	25.024	4	137.4242	18.772	5	136.2065	13.625	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a,6a](N[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	137.3080	0.000	1	137.3080	0.000	1	137.3080	0.000	1	137.4242	18.772	5	136.2065	13.625	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:C-3:	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,5a]N[5a])(CCH)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a,5a]N[5a])(CCH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	136.9415	0.009	2	136.9415	0.000	2	136.9415	0.000	2	136.9415	0.000	2	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(SC)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|C<3>,1|S<2>,3|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(SC){1|C<3>,1|S<2>}	135.5460	0.000	1	135.5460	0.000	1	135.5460	0.000	1	135.5460	0.000	1	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:N-3:	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH)	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){1|N<2>,2|N<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH){1|C<3>,1|H<1>,1|N<2>}	140.5390	0.000	1	140.6100	0.010	2	140.6100	0.010	2	140.6100	0.010	2	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:N-3:	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH)	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){2|N<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){2|N<2>,2|N<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(NHH){1|C<3>,1|N<3>}	140.6810	0.000	1	140.6100	0.010	2	140.6100	0.010	2	140.6100	0.010	2	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C-4:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	135.4380	0.000	1	135.4380	0.000	1	135.2444	0.145	7	135.2444	0.145	7	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C-4:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|S<2>}	135.4100	0.000	1	135.4100	0.000	1	135.2444	0.145	7	135.2444	0.145	7	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C-4:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	134.4940	0.000	1	134.4940	0.000	1	135.2444	0.145	7	135.2444	0.145	7	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C-4:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CHHO){1|C<3>,1|S<2>}	135.2600	0.000	1	135.2600	0.000	1	135.2444	0.145	7	135.2444	0.145	7	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C-4:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CCHH){1|C<3>,1|S<2>}	135.4535	0.394	2	135.4535	0.155	2	135.2444	0.145	7	135.2444	0.145	7	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:C-4:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(CH3){1|C<3>,1|S<2>}	135.2020	0.000	1	135.2020	0.000	1	135.2444	0.145	7	135.2444	0.145	7	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	136.1710	0.000	1	136.1710	0.000	1	133.9738	0.577	15	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	133.7402	0.455	9	133.7402	0.207	9	133.9738	0.577	15	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	133.7445	0.271	4	133.7445	0.073	4	133.9738	0.577	15	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]S)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]S){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(H){1|S<2>,3|C<3>}	134.7960	0.000	1	134.7960	0.000	1	133.9738	0.577	15	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O){1|C<3>,1|N<2>}	132.1770	0.000	1	132.1770	0.000	1	132.1127	0.180	3	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O){1|C<3>,1|N<2>}	131.6600	0.000	1	131.6600	0.000	1	132.1127	0.180	3	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:O-1:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(O){1|C<3>,1|N<2>}	132.5010	0.000	1	132.5010	0.000	1	132.1127	0.180	3	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	138.0637	0.270	3	137.8058	0.410	5	137.8058	0.410	5	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	138.1250	0.000	1	137.8058	0.410	5	137.8058	0.410	5	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:H-1:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a])	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	136.7130	0.000	1	137.8058	0.410	5	137.8058	0.410	5	134.5641	3.904	23	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N-2:	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,2|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(NC){4|C<3>}	137.9205	0.469	2	137.9205	0.220	2	137.9205	0.220	2	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|N<2>}	133.4450	0.000	1	133.4450	0.000	1	133.4450	0.000	1	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[3x6]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[3x6]S[5a]){1|C<3>,2|N<2>,3|C<4>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	135.2310	0.000	1	135.2310	0.000	1	135.6869	0.152	13	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|O<2>,2|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	135.3320	0.000	1	135.3320	0.000	1	135.6869	0.152	13	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	135.7500	0.000	1	135.7456	0.070	8	135.6869	0.152	13	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	135.7450	0.286	7	135.7456	0.070	8	135.6869	0.152	13	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,1|S<2>,3|C<3>}	136.5900	0.000	1	135.8007	0.470	3	135.6869	0.152	13	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,1|S<2>,3|C<3>}	135.4550	0.000	1	135.8007	0.470	3	135.6869	0.152	13	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,2|N<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|S<2>,2|H<1>,3|C<3>}	135.3570	0.000	1	135.8007	0.470	3	135.6869	0.152	13	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	141.5230	1.487	3	141.5230	2.212	3	141.6997	1.600	4	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){2|C<3>,2|H<1>,2|N<2>}	142.2300	0.000	1	142.2300	0.000	1	141.6997	1.600	4	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N-2:	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H)	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN)	N[5a,5a](N[5a,5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]H){1|N<2>,3|C<3>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(NN){1|H<1>,2|C<3>}	137.2950	0.000	1	137.2950	0.000	1	137.2950	0.000	1	137.0148	6.601	21	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-3:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(CHO)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|N<2>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]N[5a])(CHO){1|S<2>,3|C<3>}	133.8950	0.769	2	133.8950	0.592	2	133.8950	0.592	2	134.3630	1.103	6	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,4|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	134.3020	0.000	1	134.3020	0.000	1	134.1820	1.099	3	134.3630	1.103	6	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	133.0790	0.000	1	133.0790	0.000	1	134.1820	1.099	3	134.3630	1.103	6	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]S[5a]C)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	135.1650	0.000	1	135.1650	0.000	1	134.1820	1.099	3	134.3630	1.103	6	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:N[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C[6a]-3:	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a,5a](C[5a]C[5a]C[6a])(N[5a,5a]C[5a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](N[5a,5a]N[5a,5a]C[5a])(C[5a]C[5a]C){4|C<3>}	C[5a](N[5a,5a]N[5a,5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	135.8420	0.000	1	135.8420	0.000	1	135.8420	0.000	1	134.3630	1.103	6	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:C-4:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3)	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<2>}	C[5a](N[5a,5a]C[5a,5a]N[5a])(C[5a]C[6a]S[5a])(CH3){1|N<2>,3|C<3>}	132.8750	0.000	1	132.8750	0.000	1	132.8750	0.000	1	132.8750	0.000	1	135.6936	5.835	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	N[5a](N[5a,6]C[5a,6]2)(N[5a]C[5a]){1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a,6]C[5a,6]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	125.9090	0.000	1	125.9090	0.000	1	125.9090	0.000	1	127.1530	3.095	2	127.1530	3.095	2	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a,6]-3:N[5a]-2:	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]2)(N[5a]N[5a])	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|O<2>,2|N<3>}	N[5a](N[5a,6]C[5a,6]2)(N[5a]N[5a]){1|N<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]O[5a]){1|C<3>,1|N<3>,1|O<1>,2|N<2>}	128.3970	0.000	1	128.3970	0.000	1	128.3970	0.000	1	127.1530	3.095	2	127.1530	3.095	2	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5,6a]	3:3:2:	3:2:	3:3:4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HO){1|C<3>,1|C<4>,2|N<2>,4|H<1>}	129.0280	0.000	1	129.0280	0.000	1	129.0280	0.000	1	129.0280	0.000	1	126.7903	1.085	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	126.4090	0.000	1	126.4090	0.000	1	126.4706	0.312	7	126.4706	0.312	7	126.7903	1.085	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	126.7350	0.080	3	126.7458	0.005	4	126.4706	0.312	7	126.4706	0.312	7	126.7903	1.085	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a])	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|N<2>,2|C<3>,5|H<1>}	126.7780	0.000	1	126.7458	0.005	4	126.4706	0.312	7	126.4706	0.312	7	126.7903	1.085	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5,6a]-3:C[5]-4:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N)	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH)	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[5,6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	125.9510	1.006	2	125.9510	1.011	2	126.4706	0.312	7	126.4706	0.312	7	126.7903	1.085	8	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){2|C<3>,2|N<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(N[5a]C[5a,6a]C){1|H<1>,5|C<3>}	125.6350	0.000	1	125.6350	0.000	1	125.6350	0.000	1	126.3073	0.384	3	126.3073	0.384	3	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	126.6435	0.299	2	126.6435	0.089	2	126.6435	0.089	2	126.3073	0.384	3	126.3073	0.384	3	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:N[5a]-2:	C[5a,5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]2)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a,5a])2{1|O<2>,4|N<2>}	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a]N[5a]){1|C<3>,1|O<2>,2|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a]2)(N[5a]O[5a]){2|C<3>}	119.0915	2.319	2	119.0915	5.376	2	119.0915	5.376	2	119.0915	5.376	2	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|N<2>,4|C<3>}	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	119.1770	0.588	5	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	119.9590	0.000	1	119.9590	0.000	1	119.4775	0.182	4	119.1770	0.588	5	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]2)(N[5a]N[5a]){3|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|N<2>}	119.3170	0.345	3	119.3170	0.119	3	119.4775	0.182	4	119.1770	0.588	5	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	118.2160	0.000	1	118.6582	2.407	4	118.6582	2.407	4	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	118.8057	1.866	3	118.6582	2.407	4	118.6582	2.407	4	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,2|N<2>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	121.6160	0.000	1	121.6160	0.000	1	121.6160	0.000	1	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	118.0590	0.153	2	118.0590	0.023	2	117.5030	0.939	3	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]O[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,1|N<2>,2|C<3>}	116.3910	0.000	1	116.3910	0.000	1	117.5030	0.939	3	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a]){3|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(S[5a]C[5a]){2|N<2>,3|H<1>}	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,3|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	122.4270	0.000	1	122.4270	0.000	1	122.4185	0.000	2	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]Mn)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|Mn<6>,2|N<2>}	N[5a](N[5a]C[5a]2)(N[5a]N[5a]){1|N<2>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|N<3>,2|N<2>}	122.4100	0.000	1	122.4100	0.000	1	122.4185	0.000	2	119.4582	4.629	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|N<3>,3|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<2>,2|C<3>,2|H<1>}	120.0880	0.000	1	120.0880	0.000	1	120.0880	0.000	1	120.1718	0.905	8	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a])	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,4|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<2>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]N[5a]){1|C<2>,1|N<2>,2|H<1>,5|C<3>}	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	120.1718	0.905	8	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]N[5a]C){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	119.6480	0.000	1	119.6480	0.000	1	119.9330	0.195	4	120.1718	0.905	8	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|H<1>,1|N<2>,2|C<3>}	120.5520	0.000	1	120.0280	0.238	3	119.9330	0.195	4	120.1718	0.905	8	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]H){1|C<3>,1|N<2>,2|H<1>}	119.7660	0.252	2	120.0280	0.238	3	119.9330	0.195	4	120.1718	0.905	8	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,1|N<2>,3|C<3>}	121.2360	0.000	1	121.2360	0.000	1	121.2360	0.000	1	120.1718	0.905	8	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a])	N[5a](N[5a]C[5a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,2|N<3>,2|O<1>}	N[5a](N[5a]C[5a]2)(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	120.1718	0.905	8	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]N)	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a]){2|N<2>,4|N<3>}	N[5a](N[5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a](N[5a]C[5a,5a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){2|C<3>,2|N<2>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]N[5a])2{1|H<1>,3|C<3>}	119.7680	0.000	1	119.7680	0.000	1	119.7680	0.000	1	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){2|N<2>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|H<1>,1|N<3>,2|C<3>}	119.3770	0.000	2	119.3770	0.000	2	120.3533	1.274	4	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.2590	0.000	1	121.3295	0.010	2	120.3533	1.274	4	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){3|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])2{1|C<3>,1|H<1>,2|N<2>}	121.4000	0.000	1	121.3295	0.010	2	120.3533	1.274	4	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:O[5a]-2:	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a])	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2){1|N<2>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(O[5a]C[5a,6a]){1|H<1>,4|C<3>}	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,4|C<3>}	115.5140	0.000	1	115.5140	0.000	1	118.4060	4.551	4	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a])	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a,6a])(S[5a]C[5a,6a]){1|H<1>,4|C<3>}	119.9800	0.518	2	119.9800	0.268	2	118.4060	4.551	4	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S[5a]-2:	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.1500	0.000	1	118.1500	0.000	1	118.4060	4.551	4	119.5950	2.989	11	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|S<2>,3|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){2|H<1>,3|C<3>}	120.8250	0.000	1	120.8250	0.000	1	120.8250	0.000	1	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,5|C<3>}	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.9535	0.367	2	120.1030	0.325	4	120.1030	0.325	4	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S[5a]-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(S[5a]C[5a]){1|H<1>,2|N<2>,3|C<3>}	120.2525	0.866	2	120.1030	0.325	4	120.1030	0.325	4	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	118.9810	0.000	1	118.9810	0.000	1	118.3920	0.694	2	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a])	N[5a](C[5a]S[5a]C)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]S[5a]C)(N[5a]C[5a]2){1|C<3>,1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	117.8030	0.000	1	117.8030	0.000	1	118.3920	0.694	2	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O[5a]-2:	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(O[5a]C[5a]){1|H<1>,3|C<3>}	119.2850	0.000	1	119.2850	0.000	1	119.2450	0.003	2	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O[5a]-2:	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a])	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(O[5a]N[5a]){1|H<1>,3|C<3>}	119.2050	0.000	1	119.2050	0.000	1	119.2450	0.003	2	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(S[5a]C[5a]){1|B<3>,1|H<1>,3|C<3>}	116.5800	0.000	1	116.5800	0.000	1	121.0613	6.382	6	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(S[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.0290	0.000	1	123.0290	0.000	1	121.0613	6.382	6	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	121.8767	1.726	3	121.6898	2.126	4	121.0613	6.382	6	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:S[5a]-2:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a])	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C[5])(S[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>,2|N<2>}	121.1290	0.000	1	121.6898	2.126	4	121.0613	6.382	6	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	118.2550	0.153	2	118.2550	0.023	2	118.2130	0.017	3	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|N<2>,3|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>}	118.1290	0.000	1	118.1290	0.000	1	118.2130	0.017	3	119.9406	3.042	20	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a]){1|C<3>,1|I<1>,1|S<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[5a]S[5a]I){1|H<1>,1|I<1>,2|C<3>}	120.3060	0.000	1	120.3060	0.000	1	118.8090	4.482	2	119.6590	3.513	6	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,5|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){2|C<3>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]N)2{2|C<3>,2|N<3>}	117.3120	0.000	1	117.3120	0.000	1	118.8090	4.482	2	119.6590	3.513	6	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|H<1>,4|C<3>}	119.4280	0.136	2	119.4280	0.018	2	120.0840	3.639	4	119.6590	3.513	6	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|C<3>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){2|C<3>,2|H<1>}	118.5980	0.000	1	118.5980	0.000	1	120.0840	3.639	4	119.6590	3.513	6	119.7110	2.765	63	128.1052	62.599	149
813	519	727	0:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|H<1>,1|N<2>,3|C<3>}	122.8820	0.000	1	122.8820	0.000	1	120.0840	3.639	4	119.6590	3.513	6	119.7110	2.765	63	128.1052	62.599	149
813	519	727	5:SP2_SP2_SP2	N[5,5a,6]	N[5a]	C[5,5a,6]	3:4:2:	3:2:	3:4:2:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	N[5,5a,6]-3:N[5a]-2:	N[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a])	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a])	N[5,5a,6](C[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]){1|H<1>,3|C<4>}	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(N[5a]N[5a]){1|C<4>,1|O<2>,2|H<1>}	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	109.6370	0.000	1	111.2555	5.239	2	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a,6]	N[5a]	C[5,5a,6]	3:4:2:	3:2:	3:4:3:	C[5,5a,6]-3:C[5,5,6]-4:N[5a]-2:	N[5,5a,6]-3:N[5a]-2:	N[5,5a,6]-3:C[5,5,6]-4:C[5a]-3:	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a])	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a])	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H)	N[5,5a,6](C[5,5a,6]C[5,5,6]C[5a])(C[5,5,6]C[5,5]C[5,6]H)(N[5a]N[5a]){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	N[5a](N[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]){2|H<1>,3|C<4>}	C[5,5a,6](N[5,5a,6]C[5,5,6]N[5a])(C[5,5,6]C[5,5]O[5,6]C)(C[5a]N[5a]H){1|C<4>,1|O<2>,2|H<1>}	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	111.2555	5.239	2	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:2:3:	3:3:	3:3:2:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5])	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){1|N<2>,3|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5]){1|H<1>,2|N<3>}	113.5390	0.000	1	113.2825	0.132	2	113.2825	0.132	2	113.2825	0.132	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:2:3:	3:3:	3:3:2:	C[5,5a]-3:N[5a]-2:C[5]-3:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N)	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5])	N[5,5a](C[5,5a]N[5a]N[5])(N[5a]C[5a])(C[5]N[5]N){1|H<1>,2|N<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]N){2|N<2>,2|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]N)(N[5]N[5]){1|H<1>,1|N<2>,1|N<3>}	113.0260	0.000	1	113.2825	0.132	2	113.2825	0.132	2	113.2825	0.132	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:2:4:	3:3:	3:3:3:	C[5,5a]-3:N[5a]-2:C[5]-4:	C[5a,6a]-3:N[5,5a]-3:	C[5a,6a]-3:N[5,5a]-3:N[5]-3:	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5])	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C)	N[5,5a](C[5,5a]C[5a,6a]N[5])(N[5a]C[5a,6a])(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]C[5,5a]C[5]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(N[5,5a]N[5a]C[5])(N[5]C[5]C){2|C<3>,5|H<1>}	115.7495	0.433	2	115.7495	0.188	2	115.7495	0.188	2	115.7495	0.188	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:3:2:	3:2:	3:4:3:	C[5,6a]-3:C[5,5a]-3:N[5a]-2:	N[5,5a]-3:O[5a]-2:	N[5,5a]-3:C[5]-4:C[5a]-3:	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a])	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a])	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O)	N[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]O[5a]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](N[5,5a]C[5,5a]C[5,6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5,5a](N[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CO)(C[5a]O[5a]O){2|C<3>}	117.5260	0.544	2	117.5260	0.296	2	117.5260	0.296	2	117.5260	0.296	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:3:2:	3:3:	3:2:2:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5,5])	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[5,5]O)(N[5a]C[5a]){1|H<1>,2|C<4>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]H){1|C<4>,1|O<1>,1|S<2>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5,5]){1|H<1>,1|O<1>,2|C<4>}	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	110.2760	0.000	1	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]D)(N[5]N[5])	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|D<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]D)(N[5]N[5]){1|C<3>,1|C<4>,1|D<1>}	111.5950	0.000	1	111.5950	0.000	1	111.8600	0.140	2	111.8600	0.140	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[5]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-3:N[5]-2:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C)	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]H)(N[5]N[5])	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[6a]N[5])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a]H)(N[5]N[5]){1|C<3>,1|C<4>,1|H<1>}	112.1250	0.000	1	112.1250	0.000	1	111.8600	0.140	2	111.8600	0.140	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:2:	3:2:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){3|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]H){4|H<1>}	109.1170	0.000	1	109.1170	0.000	1	108.7865	0.218	2	108.7865	0.218	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:2:	3:2:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:N[5a]-2:N[5]-3:	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N)	N[5,5a](C[5,5a]N[5a]N[5])(C[5]C[5]HH)(N[5a]N[5a]){1|N<2>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]N[5a]){1|C<4>,1|N<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]N[5a])(N[5]C[5]N){4|H<1>}	108.4560	0.000	1	108.4560	0.000	1	108.7865	0.218	2	108.7865	0.218	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:2:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a]){5|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	112.7310	0.314	2	112.7310	0.099	2	112.8257	0.026	6	112.8323	0.022	7	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:2:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]HH)(N[5a]N[5a]){3|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]N[5a]C){2|C<3>,3|H<1>}	112.8730	0.036	4	112.8730	0.001	4	112.8257	0.026	6	112.8323	0.022	7	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:2:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]C)(C[5]C[5]C){4|H<1>}	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	112.8323	0.022	7	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:2:	3:3:4:	C[5,5a]-3:B[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:P[5]-4:	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]B[5])(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5])	N[5,5a](C[5,5a]C[5a]P[5])(B[5]C[6a]2N[5])(N[5a]N[5a]){1|H<1>,7|C<3>}	N[5a](N[5,5a]C[5,5a]B[5])(N[5a]C[5a]){1|N<3>,1|P<4>,3|C<3>}	C[5,5a](N[5,5a]N[5a]B[5])(C[5a]C[6a]N[5a])(P[5]C[6a]2N[5]){1|H<1>,8|C<3>}	110.5660	0.000	1	110.5660	0.000	1	110.5660	0.000	1	111.9940	4.078	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:2:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]N[5a]){1|C<4>,4|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){2|C<4>,3|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]N[5a]H)(C[5]C[5]HH){1|C<4>,3|H<1>}	113.4220	0.000	1	113.4220	0.000	1	113.4220	0.000	1	111.9940	4.078	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:3:	3:2:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:N[5a]-2:S[5]-2:	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a])	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5])	N[5,5a](C[5,5a]N[5a]S[5])(C[5]C[6a]C[5]O)(N[5a]C[5a]){4|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[6a]N[5a]){1|O<2>,1|S<2>,4|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(N[5a]C[5a])(S[5]C[5]){1|O<2>,3|C<3>}	109.4435	2.198	2	109.4435	4.833	2	109.4435	4.833	2	109.4435	4.833	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:3:	3:3:2:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:O[5]-2:	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5])	N[5,5a](C[5,5a]C[5a]O[5])(C[5]C[6a]2C[5])(N[5a]C[5a]){1|N<2>,6|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|O<2>,4|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(O[5]C[5]){1|N<2>,3|C<3>}	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]O)	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[5a]H){1|O<2>,2|H<1>,3|C<3>}	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	114.2040	3.090	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:3:	3:3:3:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]N)(C[5]C[5]C){5|H<1>}	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	114.2040	3.090	2	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C)	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){1|C<4>,1|S<4>,4|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C){1|S<4>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]S)(C[5]C[5]HH){1|C<4>,4|H<1>}	113.7080	0.000	1	113.7080	0.000	1	114.2518	0.084	21	114.2518	0.084	21	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5]HH)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C[6a])(C[5]C[5]HH){3|C<3>,4|H<1>}	114.3147	0.221	19	114.3147	0.049	19	114.2518	0.084	21	114.2518	0.084	21	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	3:4:2:	3:3:	3:3:4:	C[5,5a]-3:C[5]-4:N[5a]-2:	N[5,5a]-3:C[5a]-3:	N[5,5a]-3:C[5a]-3:C[5]-4:	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a])	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a])	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH)	N[5,5a](C[5,5a]C[5a]C[5])(C[5]S[5]HH)(N[5a]C[5a]){2|C<3>,2|H<1>,2|O<1>}	N[5a](N[5,5a]C[5,5a]C[5])(C[5a]C[5a]C[6a]){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[5,5a](N[5,5a]N[5a]C[5])(C[5a]C[5a]C)(C[5]S[5]HH){1|C<3>,2|H<1>,2|O<1>}	113.6010	0.000	1	113.6010	0.000	1	114.2518	0.084	21	114.2518	0.084	21	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	4:3:2:	3:2:	3:3:3:	C[5]-4:C[5,5a]-3:N[5a]-2:	N[5,5a]-3:N[5a]-2:	C[5,6a]-3:N[5,5a]-3:C[5a]-3:	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a])	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a])	N[5,5a](C[5]C[5,6a]C[6a]C[3])(C[5,5a]C[5,6a]C[5a])(N[5a]N[5a]){3|C<4>,5|C<3>}	N[5a](N[5,5a]C[5,5a]C[5])(N[5a]C[5a]){1|C<4>,4|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(N[5,5a]N[5a]C[5])(C[5a]C[6a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	112.1290	0.000	1	112.1290	0.000	1	112.1290	0.000	1	112.1290	0.000	1	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5,5a]	N[5a]	C[5,5a]	6:3:2:	3:2:	3:3:2:	Si[5,5]-6:C[5,5a]-3:N[5a]-2:	N[5,5a]-3:N[5a]-2:	N[5,5a]-3:C[5,6]-3:N[5a]-2:	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a])	N[5a](N[5,5a]C[5,5a]Si[5,5])(N[5a]N[5a])	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a])	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a]){1|N<2>,5|C<3>}	N[5a](N[5,5a]C[5,5a]Si[5,5])(N[5a]N[5a]){1|C<3>,2|N<2>,3|N<3>}	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<2>,2|N<3>}	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	106.7780	0.000	1	113.2723	4.592	48	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:2:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)	N[5a,5a](C[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(N[5a]N[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C){1|H<1>,3|C<3>}	110.7390	0.349	2	110.7390	0.122	2	110.7390	0.122	2	112.0646	1.577	5	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(C[5a]N[5a]C)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]){4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[5a,6a]C)(C[5a]N[5a]C){2|C<3>}	112.7160	0.079	2	112.7160	0.006	2	112.9483	0.165	3	112.0646	1.577	5	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:C[5a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]){4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(C[5a]C[5a,6a]N){4|C<3>}	113.4130	0.000	1	113.4130	0.000	1	112.9483	0.165	3	112.0646	1.577	5	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|S<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	110.0970	0.000	1	110.0970	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|N<2>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,2|C<3>}	118.4145	0.153	2	118.4145	0.024	2	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|S<2>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<3>}	109.6550	0.000	1	109.6550	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	108.8520	0.000	1	109.3585	0.513	2	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|S<2>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|H<1>,2|C<3>}	109.8650	0.000	1	109.3585	0.513	2	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	118.5533	0.264	9	118.5533	0.070	9	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,2|H<1>}	118.4180	0.200	4	118.4180	0.040	4	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]S)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|S<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]S){1|C<3>,1|H<1>,1|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	117.7050	0.000	1	117.7050	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]N[5a])(N[5a]C[5a]){1|S<2>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){2|C<3>}	120.1680	0.000	1	120.1680	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|O<1>,2|C<3>}	110.0850	0.000	1	110.0850	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|O<1>}	110.0120	0.000	1	110.0120	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a])(S[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>}	109.7160	0.000	1	109.7160	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[3x6]S[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[3x6]S[5a]){1|C<3>,2|N<2>,3|C<4>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|C<4>}	118.9490	0.000	1	118.9490	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|O<2>,2|C<3>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){2|C<3>}	118.5600	0.000	1	118.5600	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){2|N<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){2|C<3>}	118.3516	0.178	8	118.3516	0.032	8	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<3>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|C<4>}	118.1493	0.458	3	118.1493	0.210	3	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|C<4>}	117.9110	0.000	1	117.9110	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[6a]S[5a]){1|C<4>,2|C<3>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|C<4>}	118.7297	0.101	3	118.7297	0.010	3	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]S[5a]C){1|C<4>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){2|C<4>}	118.5253	0.253	3	118.5253	0.064	3	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-2:S[5a]-2:	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a])	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]S[5a])(C[5a]N[5a]S)(N[5a]C[5a]){1|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S[5a]){1|C<3>,1|S<2>,3|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a])(S[5a]C[5a]){1|C<3>,1|S<2>}	118.6730	0.000	1	118.6730	0.000	1	117.1279	10.410	45	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:O[5a]-2:N[5a]-2:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]O[5a])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|O<2>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(O[5a]C[5a,6a])(N[5a]C[5a]){3|C<3>}	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	116.9518	11.605	46	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:S[5a]-2:C[5a]-3:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H)	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]S[5a])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(S[5a]C[5a,6a])(C[5a]C[5a]H){1|C<4>,2|C<3>}	113.1540	0.000	1	113.1540	0.000	1	113.1540	0.000	1	113.1540	0.000	1	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,2|C<4>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]C){1|C<3>,1|C<4>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>}	111.7975	0.909	2	111.7975	0.826	2	111.7975	0.826	2	111.0944	3.209	11	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a])	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){2|N<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){2|N<2>,2|N<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]C[5a]N)(N[5a]N[5a]){2|N<3>}	113.8950	0.000	1	113.8950	0.000	1	112.2355	5.508	2	111.0944	3.209	11	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a,5a](C[5a,5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|H<1>,1|N<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]N){1|N<2>,2|N<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){2|N<3>}	110.5760	0.000	1	110.5760	0.000	1	112.2355	5.508	2	111.0944	3.209	11	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a]){1|N<3>,4|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]H)(N[5a]C[5a]){3|C<3>}	110.3035	0.206	2	110.3035	0.042	2	110.3035	0.042	2	111.0944	3.209	11	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:N[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a])	N[5a,5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,5a]C[5a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[5a,6a]){1|C<4>,4|C<3>}	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	111.0944	3.209	11	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	109.8780	0.000	1	109.7023	0.377	4	109.7023	0.377	4	111.0944	3.209	11	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[5a,5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]C){1|C<3>,1|N<2>,1|N<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	109.6437	0.739	3	109.7023	0.377	4	109.7023	0.377	4	111.0944	3.209	11	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	N[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S)	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a])(C[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>,1|S<2>}	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	112.7550	0.000	1	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:4:2:	3:3:	3:3:2:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	C[5a,6]-3:N[5a,5a]-3:N[5a]-2:	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a])	N[5a,5a](C[5a,5a]C[5a,6]N[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,6|C<3>}	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]N[5a]C){1|N<3>,3|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,5a]	N[5a]	C[5a,5a]	3:4:2:	3:3:	3:3:3:	C[5a,5a]-3:B[5a]-4:N[5a]-2:	N[5a,5a]-3:C[5a]-3:	C[5a,6]-3:N[5a,5a]-3:C[5a]-3:	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C)	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H)	N[5a,5a](C[5a,5a]C[5a,6]C[5a])(B[5a]N[5a,6]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,6|C<3>}	N[5a](N[5a,5a]C[5a,5a]B[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,3|C<3>}	C[5a,5a](C[5a,6]N[5a,6]C[6])(N[5a,5a]B[5a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	112.5050	0.000	2	112.5050	0.000	2	112.5050	0.000	2	112.5050	0.000	2	115.2463	15.252	67	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6,6]	3:4:2:	3:3:	3:3:3:	C[5a,6,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6,6]C[6])(C[5a]C[5a,6]H)	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>}	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>}	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>}	111.0485	0.292	2	111.0485	0.085	2	111.0485	0.085	2	111.0485	0.085	2	111.0485	0.085	2	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]C[5a])	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>}	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>}	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>}	111.4540	0.000	1	111.4540	0.000	1	111.3280	0.032	2	111.3280	0.032	2	111.3280	0.032	2	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]I)	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>}	N[5a](N[5a,6]C[5a,6,6a]C[6])(C[5a]C[5a,6a]I){1|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]N[5a]C[6]){1|I<1>,3|C<3>,4|H<1>}	111.2020	0.000	1	111.2020	0.000	1	111.3280	0.032	2	111.3280	0.032	2	111.3280	0.032	2	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:2:	3:2:	3:2:2:	C[5a,6]-3:N[6]-2:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[6]-2:N[5a]-2:	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]){1|C<3>,1|N<2>}	C[5a,6](N[5a,6]N[5a]N[6])(N[6]C[5a,6])(N[5a]N[5a]){1|C<3>,1|N<3>}	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	109.8680	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:2:	3:2:	3:4:2:	C[5a,6]-3:N[5a]-2:O[6]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6])	N[5a](N[5a,6]C[5a,6]O[6])(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	N[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(O[6]C[6]){1|C<3>,1|H<1>,3|C<4>}	N[5a](N[5a,6]C[5a,6]O[6])(N[5a]N[5a]){2|C<4>}	C[5a,6](N[5a,6]N[5a]O[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.5840	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	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[5a]-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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,1|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>}	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	107.8070	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:2:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]C[6]O)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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])(N[5a]N[5a])(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<4>,1|N<3>,1|O<1>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,2|O<1>}	107.8310	0.000	1	107.8310	0.000	1	107.8310	0.000	1	108.5595	1.061	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:2:	3:2:3:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a])	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>}	C[5a,6](N[5a,6]N[5a]N[6])(N[5a]N[5a])(N[6]C[6]H){1|C<4>,3|H<1>}	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	108.5595	1.061	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){1|C<3>,3|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.8080	0.000	1	111.7335	0.011	2	111.7335	0.011	2	111.7335	0.011	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H)	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.6590	0.000	1	111.7335	0.011	2	111.7335	0.011	2	111.7335	0.011	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H)	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|H<1>,3|C<3>}	N[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](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	111.1870	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:2:	3:4:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H)	N[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[6]C[5,6]HH)(C[5a]N[5a]H){1|N<2>,1|N<3>,2|C<3>}	111.5380	0.472	2	111.5380	0.223	2	111.5380	0.223	2	111.5380	0.223	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]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])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|C<3>,2|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<3>,2|H<1>}	109.5080	0.000	1	109.5080	0.000	1	109.6573	0.017	3	109.6573	0.017	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:2:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	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])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(N[5a]C[5a])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	109.7320	0.028	2	109.7320	0.001	2	109.6573	0.017	3	109.6573	0.017	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5,5a]-3:N[5a,6]-3:	C[5,5a]-3:N[5a,6]-3:O[6]-2:	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6])	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6])	N[5a,6](C[5a,6]C[5,5a]O[6])(N[5a]C[5,5a])(C[6]C[6]W){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a,6]C[5a,6]C[6]){1|C<3>,1|O<2>,1|W<6>,2|C<4>,2|H<1>}	C[5a,6](C[5,5a]C[5,5a]C[5])(N[5a,6]N[5a]C[6])(O[6]C[6]){1|W<6>,2|C<3>,2|C<4>,2|H<1>}	110.4810	0.000	1	110.4810	0.000	1	110.4810	0.000	1	110.5650	2.283	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	N[5a,6](C[5a,6]N[5a,6]N[6])(N[5a]C[5a,6])(C[6]C[6]C)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	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])(N[5a]C[5a,6])(C[6]C[6]C){1|C<3>,1|N<3>,2|C<4>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	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>}	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	110.5650	2.283	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6])	N[5a,6](C[5a,6]C[5a]O[6])(N[5a]C[5a])(C[6]N[6]2){1|H<1>,1|S<4>,3|C<4>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(O[6]S[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	109.5280	0.187	2	109.5280	0.035	2	109.5280	0.035	2	110.5650	2.283	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:	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]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	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]N){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<2>,1|N<3>,3|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<2>,1|N<3>,2|H<1>,4|C<3>}	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	112.9388	2.466	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	N[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6]C[5a,6]C[6]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	114.4720	0.000	1	114.4720	0.000	1	114.4720	0.000	1	112.9388	2.466	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])(C[6]S[6]C)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	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])(N[5a]C[5a])(C[6]S[6]C){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|H<1>,1|S<2>,2|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|H<1>,1|N<3>,1|S<2>,3|C<3>}	111.7975	0.169	2	111.7975	0.029	2	111.7975	0.029	2	112.9388	2.466	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(N[6]C[6]Pd)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]C[6]2){2|Pd<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(N[6]C[6]Pd){1|C<4>,1|H<1>,2|C<3>}	111.2160	0.000	1	111.2160	0.000	1	112.2890	2.303	2	112.9388	2.466	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H)	N[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|N<3>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N){1|N<2>,3|N<3>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(N[6]C[6]H){1|N<2>,3|N<3>}	113.3620	0.000	1	113.3620	0.000	1	112.2890	2.303	2	112.9388	2.466	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C[6]-4:	C[5a,6a]-3:N[5a,6]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	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>}	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>}	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>}	115.0015	0.073	2	115.0015	0.005	2	115.0015	0.005	2	115.0015	0.005	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:2:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:S[6]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]S[6])(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]N[5a])(S[6]C[6]){3|C<3>}	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:2:3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:C[6]-3:	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]2)(N[5a]N[5a])	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N)	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<3>,1|O<2>,2|N<3>}	N[5a](N[5a,6]C[5a,6]2)(N[5a]N[5a]){1|N<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[5,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.9980	0.000	1	111.9980	0.000	1	111.9237	0.022	3	111.9237	0.022	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:2:	C[5a,6]-3:N[6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:S[6]-2:	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a])	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6])	N[5a,6](C[5a,6]C[5a]S[6])(N[6]C[6,6]H)(N[5a]N[5a]){1|C<3>,3|C<4>}	N[5a](N[5a,6]C[5a,6]N[6])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[5a,6](N[5a,6]N[5a]N[6])(C[5a]N[5a]C)(S[6]C[6]){1|C<3>,1|C<4>,2|H<1>}	111.8865	0.190	2	111.8865	0.036	2	111.9237	0.022	3	111.9237	0.022	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	C[6,6a]-3:N[5a,6]-3:C[5a]-3:	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]2)(N[5a]C[5a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a])	N[5a,6](C[5a,6]C[5a,6]N[5a])(C[5a,6]C[6,6a]C[5a])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	N[5a](N[5a,6]C[5a,6]2)(N[5a]C[5a]){1|N<2>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,5|C<3>}	112.5510	0.000	1	112.5510	0.000	1	112.5510	0.000	1	111.3290	1.056	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]){4|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N){4|C<3>}	111.7830	0.000	1	111.7830	0.000	1	111.7830	0.000	1	111.3290	1.056	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(N[6]S[6]C){2|O<1>,4|C<3>}	110.3110	0.000	1	110.3110	0.000	1	110.4910	0.065	2	111.3290	1.056	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:N[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]N[6])(N[5a]N[5a]){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]N[5a]H)(N[6]S[6]C){2|C<3>,2|O<1>}	110.6710	0.000	1	110.6710	0.000	1	110.4910	0.065	2	111.3290	1.056	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:4:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a])	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]N[5a]){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[6]C[6]CH)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	108.8580	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:2:2:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-2:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6])	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]N[6]){1|H<1>,2|C<3>}	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	110.5930	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:2:3:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:N[5a]-2:N[6]-3:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S)	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(N[5a]C[5a])(N[6]C[6]H){1|S<1>,1|S<2>,2|C<3>}	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6])	N[5a,6](C[5a,6]C[5a]O[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6]N[5a])(C[5a]C[5a]H)(O[6]B[6]){1|N<3>,4|C<3>}	112.2210	0.000	1	112.2210	0.000	1	112.2210	0.000	1	111.6787	0.256	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:N[5a,6]-3:	N[5a,6]-3:N[5a,6]-3:N[6]-2:	N[5a,6](C[5a,6]N[5a,6]N[6])(C[6]C[6a]C[6])(N[5a]C[5a,6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6])	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[6]C[6a]C[6])(N[5a]C[5a,6]){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a,6]C[5a,6]C[6]){1|N<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a,6]N[5a]C[6])(N[6]C[6]){1|C<4>,1|N<2>,4|C<3>}	111.4075	0.265	2	111.4075	0.070	2	111.4075	0.070	2	111.6787	0.256	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N){1|H<1>,4|C<3>}	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6,6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H)	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6]C[6]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	114.9490	0.000	1	114.9490	0.000	1	114.9490	0.000	1	114.4618	0.254	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	114.5070	0.000	1	114.5163	0.042	3	114.5722	0.041	4	114.4618	0.254	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,3|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]CC){1|O<2>,2|H<1>,4|C<3>}	114.5210	0.290	2	114.5163	0.042	3	114.5722	0.041	4	114.4618	0.254	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:N[5a,6]-3:C[6]-4:	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	114.7400	0.000	1	114.7400	0.000	1	114.5722	0.041	4	114.4618	0.254	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[6,6a]-3:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH)	N[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	N[5a](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]O[6]HH){5|C<3>}	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	114.4618	0.254	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:4:3:	C[5a,6]-3:C[6,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	C[5a,6a]-3:C[6,6]-4:N[5a,6]-3:	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a])	N[5a,6](C[5a,6]C[5a,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(N[5a,6]C[6,6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-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]HH)(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|N<3>,2|H<1>}	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>}	108.2270	0.000	1	108.2270	0.000	1	108.0450	0.462	8	108.0450	0.462	8	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	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>}	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>}	106.4050	0.000	1	108.0190	0.533	7	108.0450	0.462	8	108.0450	0.462	8	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	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>}	108.2760	0.000	1	108.0190	0.533	7	108.0450	0.462	8	108.0450	0.462	8	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	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>}	108.1775	0.005	2	108.0190	0.533	7	108.0450	0.462	8	108.0450	0.462	8	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|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>}	108.3657	0.239	3	108.0190	0.533	7	108.0450	0.462	8	108.0450	0.462	8	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|N<3>,2|C<4>}	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>}	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	109.2580	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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])(C[6]C[6]HH)(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	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>}	112.0120	0.000	1	112.0120	0.000	1	112.0120	0.000	1	111.4763	0.410	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	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>}	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>}	111.6500	0.000	1	111.6500	0.000	1	111.2085	0.390	2	111.4763	0.410	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	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>}	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>}	110.7670	0.000	1	110.7670	0.000	1	111.2085	0.390	2	111.4763	0.410	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	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>}	111.5600	0.219	2	111.5600	0.048	2	111.3737	0.392	9	111.3737	0.392	9	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<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>}	111.3480	0.000	1	111.3480	0.000	1	111.3737	0.392	9	111.3737	0.392	9	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	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>}	111.7230	0.120	2	111.7230	0.014	2	111.3737	0.392	9	111.3737	0.392	9	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){2|C<4>,3|H<1>}	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>}	110.5675	1.114	2	110.5675	1.240	2	111.3737	0.392	9	111.3737	0.392	9	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	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>}	111.8230	0.000	1	111.6570	0.055	2	111.3737	0.392	9	111.3737	0.392	9	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	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>}	111.4910	0.000	1	111.6570	0.055	2	111.3737	0.392	9	111.3737	0.392	9	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,3|C<4>}	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>}	108.1090	0.000	1	108.4354	0.434	5	108.5190	0.389	6	108.6716	0.232	11	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,3|C<4>}	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>}	108.5170	0.731	4	108.4354	0.434	5	108.5190	0.389	6	108.6716	0.232	11	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	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>}	108.9370	0.000	1	108.9370	0.000	1	108.5190	0.389	6	108.6716	0.232	11	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,3|C<4>}	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>}	108.8440	0.143	4	108.8440	0.020	4	108.8548	0.016	5	108.6716	0.232	11	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	3:4:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	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>}	108.8980	0.000	1	108.8980	0.000	1	108.8548	0.016	5	108.6716	0.232	11	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	4:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]){2|C<4>,2|H<1>}	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>}	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	108.8670	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	4:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	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>}	111.7940	0.000	1	111.7940	0.000	1	111.7940	0.000	1	111.9052	0.008	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:2:	4:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,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>}	111.9423	0.064	3	111.9423	0.004	3	111.9423	0.004	3	111.9052	0.008	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:2:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<2>,2|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>}	109.6040	0.000	1	109.6040	0.000	1	110.3607	0.430	3	110.3607	0.430	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:2:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[6a]N[5a])	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>}	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>}	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>}	110.7390	0.020	2	110.7390	0.000	2	110.3607	0.430	3	110.3607	0.430	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]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[6]CO)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|N<3>,1|O<2>,2|C<4>}	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>}	109.3860	0.000	1	109.3860	0.000	1	109.5025	0.049	6	109.5025	0.049	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|N<3>,1|O<2>,2|C<4>}	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>}	109.2480	0.000	1	109.2480	0.000	1	109.5025	0.049	6	109.5025	0.049	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,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){2|H<1>,3|C<3>}	109.7590	0.000	1	109.7590	0.000	1	109.5025	0.049	6	109.5025	0.049	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,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<4>,1|H<1>,1|S<2>,2|C<3>}	109.4760	0.000	1	109.5407	0.047	3	109.5025	0.049	6	109.5025	0.049	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:2:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]S){1|H<1>,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<4>,1|H<1>,1|S<2>,2|C<3>}	109.5730	0.297	2	109.5407	0.047	3	109.5025	0.049	6	109.5025	0.049	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,1|O<2>,3|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>}	111.9420	0.000	1	111.9420	0.000	1	111.9850	0.002	3	111.7050	0.315	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){2|O<2>,3|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>}	112.0210	0.000	1	112.0210	0.000	1	111.9850	0.002	3	111.7050	0.315	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){2|O<2>,3|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>}	111.9920	0.000	1	111.9920	0.000	1	111.9850	0.002	3	111.7050	0.315	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:2:	C[5a,6]-3:S[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[5a]-3:O[6]-2:	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6])	N[5a,6](C[5a,6]C[5a]O[6])(S[6]N[6]OO)(N[5a]C[5a]){1|C<3>,2|C<4>}	N[5a](N[5a,6]C[5a,6]S[6])(C[5a]C[5a]C){1|C<4>,1|N<2>,1|O<2>,2|O<1>}	C[5a,6](N[5a,6]N[5a]S[6])(C[5a]C[5a]C)(O[6]C[6]){1|C<4>,1|N<2>,1|N<3>,2|O<1>}	110.8650	0.000	1	110.8650	0.000	1	110.8650	0.000	1	111.7050	0.315	4	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	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>}	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>}	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>}	113.5940	0.000	1	113.5940	0.000	1	113.7807	0.122	4	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	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>}	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>}	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>}	113.7410	0.508	2	113.7410	0.258	2	113.7807	0.122	4	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:N[5a,6]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])	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>}	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>}	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>}	114.0470	0.000	1	114.0470	0.000	1	113.7807	0.122	4	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<4>,2|C<3>,2|H<1>}	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>}	113.5040	0.000	1	113.5040	0.000	1	113.5483	0.133	3	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]N)	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>}	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>}	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>}	113.5705	0.513	2	113.5705	0.263	2	113.5483	0.133	3	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	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>}	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>}	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>}	113.8300	0.000	1	113.8300	0.000	1	113.1950	0.806	2	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|H<1>}	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>}	112.5600	0.000	1	112.5600	0.000	1	113.1950	0.806	2	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	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>}	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>}	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>}	112.5040	0.000	1	112.5040	0.000	1	113.3440	1.411	2	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	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>}	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>}	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>}	114.1840	0.000	1	114.1840	0.000	1	113.3440	1.411	2	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	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>}	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>}	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>}	112.4330	0.000	1	112.4330	0.000	1	112.5700	0.038	2	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	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>}	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>}	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>}	112.7070	0.000	1	112.7070	0.000	1	112.5700	0.038	2	113.3835	0.417	13	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C[6a])	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>}	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>}	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>}	112.6570	0.000	1	112.6570	0.000	1	112.6620	0.000	2	112.6620	0.000	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:3:4:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	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>}	112.6670	0.000	1	112.6670	0.000	1	112.6620	0.000	2	112.6620	0.000	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	3:4:2:	3:3:	3:4:3:	C[5a,6]-3:C[6]-4:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C)	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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]C[5a]C){1|C<3>,1|H<1>,3|C<4>}	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>}	113.5250	0.000	1	113.5250	0.000	1	113.5250	0.000	1	113.5250	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:2:	3:3:4:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:C[6]-4:	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a])	N[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH)	N[5a,6](C[5,6]C[5,5]C[6]O[5])(C[5a,6]C[5a]C[6])(N[5a]N[5a]){2|C<4>,2|O<2>,6|H<1>}	N[5a](N[5a,6]C[5a,6]C[5,6])(N[5a]C[5a]){1|H<1>,1|O<2>,3|C<4>}	C[5a,6](N[5a,6]C[5,6]N[5a])(C[5a]N[5a]H)(C[6]O[6]HH){1|O<2>,2|C<4>}	111.6210	0.000	1	111.6210	0.000	1	111.6210	0.000	1	111.3817	0.060	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:2:	3:3:4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]){1|C<3>,1|H<1>,3|C<4>}	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>}	111.1300	0.000	1	111.1300	0.000	1	111.2620	0.035	2	111.3817	0.060	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:2:	3:3:4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:N[5a]-2:	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])	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a])	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>}	N[5a](N[5a,6]C[5a,6]C[6,6])(N[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>}	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>}	111.3940	0.000	1	111.3940	0.000	1	111.2620	0.035	2	111.3817	0.060	3	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:3:	3:2:2:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]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>}	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>}	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>}	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:3:	3:3:2:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[6a]N[5a])	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>}	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>}	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>}	109.4070	0.207	4	109.4070	0.043	4	109.4580	0.045	5	109.4398	0.038	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:3:	3:3:2:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]N[5a]C)	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>}	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>}	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>}	109.6620	0.000	1	109.6620	0.000	1	109.4580	0.045	5	109.4398	0.038	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:3:	3:3:2:	C[6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]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>}	N[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|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>}	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	109.4398	0.038	6	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:3:	3:3:3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]H)	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>}	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>}	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>}	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	113.0410	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:3:	3:3:4:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	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])	N[5a](N[5a,6]C[5a,6]C[6,6])(C[5a]C[5a]C[6a])	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>}	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>}	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>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6]	N[5a]	C[5a,6]	4:3:2:	3:3:	3:4:3:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	N[5a,6]-3:C[5a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	N[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C)	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C)	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,4|C<4>,4|H<1>}	N[5a](N[5a,6]C[5a,6]C[5,6])(C[5a]C[5a]C){1|C<3>,4|C<4>}	C[5a,6](N[5a,6]C[5,6]N[5a])(C[6]C[5,6]HH)(C[5a]C[5a]C){1|C<3>,1|H<1>,4|C<4>}	113.1100	0.007	2	113.1100	0.000	2	113.1100	0.000	2	113.1100	0.000	2	111.1312	4.128	128	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:2:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:N[5a]-2:	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[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	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[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){1|C<3>,1|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>}	109.9940	0.577	3	109.9940	0.333	3	109.9940	0.333	3	109.9940	0.333	3	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:N[5a]-2:	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[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	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[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){2|C<3>}	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>}	108.4540	0.000	1	109.4490	0.260	6	109.4490	0.260	6	109.4490	0.260	6	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a]-3:N[5a]-2:	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[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])	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[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]){2|C<3>}	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>}	109.6480	0.168	5	109.4490	0.260	6	109.4490	0.260	6	109.4490	0.260	6	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	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[5a]-3:	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[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N)	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[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]N){1|C<3>,1|N<2>,1|N<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>}	114.6995	0.067	2	114.6995	0.005	2	114.6995	0.005	2	114.5013	0.120	3	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	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[5a]-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[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a])	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[5a](N[5a,6a]C[5a,6a]N[6a])(C[5a]C[5a]C[6a]){1|F<1>,4|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>}	114.1050	0.000	1	114.1050	0.000	1	114.1050	0.000	1	114.5013	0.120	3	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|I<1>,1|S<2>,4|C<3>}	114.9610	0.000	1	114.0050	1.828	2	114.0173	0.914	3	114.0173	0.914	3	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|I<1>,1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	113.0490	0.000	1	114.0050	1.828	2	114.0173	0.914	3	114.0173	0.914	3	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a,6a]C[5a,6a]C[6a]){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	114.0420	0.000	1	114.0420	0.000	1	114.0173	0.914	3	114.0173	0.914	3	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){7|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){2|H<1>,6|C<3>}	114.3620	0.000	1	114.3620	0.000	1	114.0160	0.239	2	114.1962	0.187	6	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:C[6a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	113.6700	0.000	1	113.6700	0.000	1	114.0160	0.239	2	114.1962	0.187	6	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a,6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a,6a]C[6a,6a]2){2|H<1>,6|C<3>}	114.9530	0.000	1	114.9530	0.000	1	114.9530	0.000	1	114.1962	0.187	6	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[5a,6a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	114.0640	0.057	3	114.0640	0.003	3	114.0640	0.003	3	114.1962	0.187	6	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]N[5a])(N[6a]C[6a]){1|C<3>,2|H<1>}	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	108.6800	0.000	1	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|C<4>}	108.4660	0.000	1	108.4660	0.000	1	108.4660	0.000	1	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	108.3855	0.272	2	108.3855	0.074	2	108.6442	0.194	5	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	108.8167	0.489	3	108.8167	0.239	3	108.6442	0.194	5	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){3|C<3>}	106.9840	0.000	1	106.9840	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	108.2370	0.000	1	108.2370	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	109.2840	0.000	1	109.2840	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|O<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	108.4355	0.442	2	108.4355	0.195	2	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	109.7480	0.000	1	109.7480	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	109.3090	0.000	1	109.3090	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|N<3>}	109.1400	0.000	1	109.1400	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>}	109.2460	0.000	1	109.2460	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a]){1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|N<2>,1|S<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,1|S<2>}	108.7400	0.000	1	108.7400	0.000	1	108.7559	0.641	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	110.5910	0.000	1	110.5910	0.000	1	110.5910	0.000	1	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<1>}	107.9880	0.000	1	107.9880	0.000	1	107.9880	0.000	1	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,2|C<3>}	111.9870	0.000	1	112.1090	0.030	2	112.1090	0.030	2	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,2|C<3>}	112.2310	0.000	1	112.1090	0.030	2	112.1090	0.030	2	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	109.1780	0.000	1	109.1780	0.000	1	108.7006	0.111	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){5|C<3>}	108.8810	0.000	1	108.8810	0.000	1	108.7006	0.111	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	108.1805	0.141	2	108.4704	0.087	5	108.7006	0.111	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	108.6190	0.185	2	108.4704	0.087	5	108.7006	0.111	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	108.7530	0.000	1	108.4704	0.087	5	108.7006	0.111	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<4>,2|C<3>}	108.9310	0.000	1	108.8650	0.024	3	108.7006	0.111	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]){3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){3|C<3>}	108.8320	0.205	2	108.8650	0.024	3	108.7006	0.111	10	108.9641	1.095	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]C){1|N<2>,4|C<3>}	111.2570	0.000	1	111.2570	0.000	1	111.2570	0.000	1	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|H<1>,6|C<3>}	111.4390	0.000	1	111.4390	0.000	1	111.2620	0.118	6	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a]){1|N<2>,5|C<3>}	110.8280	0.000	1	110.8280	0.000	1	111.2620	0.118	6	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C){1|N<2>,3|C<3>}	111.0610	0.000	1	111.0610	0.000	1	111.2620	0.118	6	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	111.6620	0.000	1	111.6220	0.003	2	111.2620	0.118	6	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	111.5820	0.000	1	111.6220	0.003	2	111.2620	0.118	6	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	111.0000	0.000	1	111.0000	0.000	1	111.2620	0.118	6	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	111.6720	0.000	1	111.6720	0.000	1	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	111.7527	0.213	3	111.7527	0.045	3	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	111.3480	0.000	1	111.3480	0.000	1	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	111.5215	0.029	2	111.5215	0.001	2	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<2>,1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<2>,1|I<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	111.2490	0.000	1	111.2490	0.000	1	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|I<1>}	111.4390	0.000	1	111.4390	0.000	1	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|P<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	111.2710	0.000	1	111.2710	0.000	1	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|C<4>,1|P<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	111.3790	0.396	2	111.3790	0.157	2	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|P<3>}	111.2545	0.299	2	111.2545	0.089	2	111.4676	0.064	14	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	111.7215	0.039	2	111.7215	0.002	2	111.4799	0.214	9	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,2|C<3>}	111.4109	0.510	7	111.4109	0.260	7	111.4799	0.214	9	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:O[5a]-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a])	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]O[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N){2|C<3>}	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	111.5383	0.524	31	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	110.4040	0.000	1	110.4040	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	109.4840	0.815	2	109.4840	0.664	2	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|H<1>,3|C<3>}	110.1820	0.000	1	109.7733	0.137	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	109.5690	0.153	2	109.7733	0.137	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|S<2>,3|C<3>}	109.8320	0.000	1	109.8320	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	109.6470	0.000	1	110.1256	0.068	20	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	110.1610	0.243	16	110.1256	0.068	20	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	110.1870	0.000	1	110.1256	0.068	20	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	110.3270	0.000	1	110.1256	0.068	20	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	109.7740	0.000	1	110.1256	0.068	20	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	110.5087	0.211	3	110.5087	0.045	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|O<2>,2|C<4>}	110.4135	0.367	2	110.4135	0.135	2	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>}	110.2515	0.670	2	110.1080	0.286	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|S<2>,2|C<4>}	109.8210	0.000	1	110.1080	0.286	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	109.9340	0.000	1	109.9340	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>}	109.9700	0.000	1	110.0680	0.010	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	110.0640	0.000	1	110.0680	0.010	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){2|C<3>,2|H<1>}	110.1700	0.000	1	110.0680	0.010	3	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|S<4>}	110.3930	0.000	1	110.3930	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|H<1>}	110.5020	0.305	2	110.5020	0.093	2	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<3>,2|N<3>}	110.7830	0.000	1	110.7830	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|S<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S){1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	110.4750	0.375	2	110.4750	0.140	2	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.7320	0.000	1	108.7320	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	110.2930	0.000	1	110.2930	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<3>,2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|C<3>,1|N<2>,2|N<3>}	110.0410	0.870	2	110.0410	0.756	2	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|N<3>,3|N<2>}	112.1500	0.000	1	112.1500	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){2|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|O<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|N<2>,1|N<3>,2|O<1>}	110.5980	0.000	1	110.5980	0.000	1	110.1732	0.266	51	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|O<1>,1|S<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|O<1>,3|C<3>}	109.0510	0.000	1	109.0510	0.000	1	108.6833	0.349	3	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|O<1>,1|S<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	108.0020	0.000	1	108.0020	0.000	1	108.6833	0.349	3	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|O<1>,1|S<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	108.9970	0.000	1	108.9970	0.000	1	108.6833	0.349	3	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|S<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]S){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a,6a])(S[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	117.5010	0.000	1	117.5010	0.000	1	116.9325	0.146	4	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]S[5a]){1|N<2>,1|O<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	116.7770	0.028	2	116.7770	0.001	2	116.9325	0.146	4	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:S[5a]-2:	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a])	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]S[5a]C){1|C<3>,1|N<2>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a])(S[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	116.6750	0.000	1	116.6750	0.000	1	116.9325	0.146	4	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]C){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|C<4>,2|C<3>}	110.2670	0.276	2	110.2670	0.076	2	110.2770	0.045	5	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]N[6a]){1|H<1>,2|C<3>}	110.1550	0.078	2	110.1550	0.006	2	110.2770	0.045	5	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-2:N[6a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|H<1>,1|S<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])(N[6a]C[6a]){1|Cl<1>,1|S<4>,2|C<3>}	110.5410	0.000	1	110.5410	0.000	1	110.2770	0.045	5	110.5397	3.155	63	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|S<2>,1|S<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	112.3720	0.000	1	112.3720	0.000	1	112.4608	0.094	4	112.4608	0.094	4	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:2:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-2:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6,6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6,6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	112.4903	0.369	3	112.4903	0.136	3	112.4608	0.094	4	112.4608	0.094	4	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|C<4>}	113.0910	0.000	1	113.0910	0.000	1	113.1666	0.156	7	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	113.0770	0.000	1	112.9090	0.013	4	113.1666	0.156	7	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	112.8530	0.026	3	112.9090	0.013	4	113.1666	0.156	7	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a])	N[5a,6a](C[5,6a]C[5,6a]C[5])(C[5a,6a]C[5a]N[6a])(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<4>,2|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[5,6a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|N<2>,1|S<4>}	C[5a,6a](N[5a,6a]C[5,6a]N[5a])(C[5a]C[5a]S)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	113.7195	0.125	2	113.7195	0.016	2	113.1666	0.156	7	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	111.6360	0.343	3	111.6360	0.118	3	112.0883	0.187	12	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	111.9205	0.216	4	111.9205	0.047	4	112.0883	0.187	12	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	112.3570	0.000	1	112.4570	0.020	2	112.0883	0.187	12	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	112.5570	0.000	1	112.4570	0.020	2	112.0883	0.187	12	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	112.2720	0.000	1	112.5187	0.052	3	112.0883	0.187	12	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6,6a]C[6,6a]C[6])(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6,6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6,6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	112.6420	0.116	2	112.5187	0.052	3	112.0883	0.187	12	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a]){1|H<1>,1|O<2>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])(N[5a]C[5a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>}	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a,6])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	110.2810	0.000	1	110.2810	0.000	1	109.9290	0.230	5	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|H<1>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|N<2>}	109.1190	0.000	1	109.1190	0.000	1	109.9290	0.230	5	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	110.1205	0.247	2	110.1205	0.061	2	109.9290	0.230	5	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	110.0040	0.000	1	110.0040	0.000	1	109.9290	0.230	5	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|N<2>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(N[5a,6a]C[6a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,3|C<3>}	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	111.8460	0.000	1	111.8460	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	111.3965	0.248	2	111.7780	0.172	5	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	112.0323	0.264	3	111.7780	0.172	5	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|I<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	112.3445	0.105	2	112.3445	0.011	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	112.0140	0.000	1	112.0140	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	112.4720	0.000	1	112.4720	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	112.5470	0.000	1	112.6575	0.024	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|C<2>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<3>}	112.7680	0.000	1	112.6575	0.024	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	112.0140	0.000	1	112.1470	0.035	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]){1|C<3>,3|C<4>}	112.2800	0.000	1	112.1470	0.035	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,3|C<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|C<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<2>}	114.7580	0.000	1	114.7580	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){2|C<4>,4|C<3>}	112.3530	0.000	1	112.3530	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|H<1>,2|C<4>}	111.6950	0.000	1	112.3050	0.482	9	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,3|C<4>}	112.3360	0.450	2	112.3050	0.482	9	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	112.4910	0.105	4	112.3050	0.482	9	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	112.2070	1.758	2	112.3050	0.482	9	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]){1|C<4>,5|C<3>}	112.9990	0.000	1	112.9990	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<2>,1|H<1>,2|C<3>}	112.6200	0.000	1	112.3727	0.046	3	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,3|C<3>}	112.2490	0.000	1	112.3727	0.046	3	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|C<4>}	112.2490	0.000	1	112.3727	0.046	3	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	112.7730	0.000	1	112.7730	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<3>,1|C<4>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	113.7455	0.005	2	113.7455	0.000	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<4>,2|C<3>}	112.9660	0.000	1	112.9660	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<2>,1|C<3>,1|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	113.3530	0.000	1	113.3530	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	112.0140	0.000	1	112.0140	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	112.4830	0.171	2	112.4830	0.029	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	112.5480	0.000	1	112.5480	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]2){2|C<3>,2|N<2>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|N<3>,2|C<3>}	113.7895	0.196	2	113.7895	0.038	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|N<3>,2|C<4>}	112.8385	0.076	4	112.8385	0.006	4	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	112.7865	0.033	2	112.7865	0.001	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	112.8290	0.000	1	112.8290	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|N<2>,3|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(N[6a]N[6a]){1|C<3>,1|N<2>,1|N<3>}	113.6990	0.000	1	113.6990	0.000	1	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	111.4985	0.087	2	111.4985	0.008	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|C<3>}	111.6275	0.168	2	111.6275	0.028	2	112.5171	0.541	52	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	111.7620	0.000	1	111.7620	0.000	1	111.0743	0.322	4	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	110.7650	0.546	2	110.7650	0.298	2	111.0743	0.322	4	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:O[6a]-2:	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(O[6a]C[6a]){1|O<1>,3|C<3>}	111.0050	0.000	1	111.0050	0.000	1	111.0743	0.322	4	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Br){3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Br<1>,1|H<1>,2|C<3>}	109.5228	0.641	4	109.5228	0.411	4	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]Cl){3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	109.5992	0.254	4	109.5992	0.065	4	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]I){3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	110.3970	0.000	1	110.3970	0.000	1	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	109.4460	0.636	2	109.4460	0.405	2	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.9320	0.000	1	109.8460	0.015	2	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.7600	0.000	1	109.8460	0.015	2	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.2450	0.939	4	110.2450	0.882	4	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	109.6920	0.068	2	109.6920	0.005	2	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|H<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	110.1290	0.511	2	110.1290	0.261	2	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.3100	0.000	1	111.3100	0.000	1	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<2>,1|O<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	110.0535	0.445	2	110.0535	0.198	2	109.8962	0.402	24	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[5a,6a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|N<2>,1|O<1>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[6a])(N[6a]C[5a,6a]){1|O<1>,2|N<3>,3|C<3>}	112.2460	0.000	1	112.2460	0.000	1	112.2460	0.000	1	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	108.9440	0.000	1	108.9440	0.000	1	109.0678	0.104	8	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|O<1>,2|C<4>}	109.1773	0.437	3	109.1773	0.191	3	109.0678	0.104	8	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.8220	0.000	1	108.8220	0.000	1	109.0678	0.104	8	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N){1|C<3>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	109.2630	0.188	2	109.2630	0.035	2	109.0678	0.104	8	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|N<2>,2|C<3>,2|N<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	108.7180	0.000	1	108.7180	0.000	1	109.0678	0.104	8	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]O){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|O<2>,2|C<3>}	109.1610	0.000	1	109.1610	0.000	1	109.3970	0.103	3	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<2>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<2>,2|C<3>}	109.7630	0.000	1	109.5150	0.123	2	109.3970	0.103	3	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:N[6a]-3:N[5a]-2:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(N[5a]C[5a]){1|S<4>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]N[5a]S){1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(N[6a]C[6a]H)(N[5a]C[5a]){1|O<1>,1|S<4>,2|C<3>}	109.2670	0.000	1	109.5150	0.123	2	109.3970	0.103	3	111.4498	2.274	118	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.4975	0.262	2	113.4975	0.069	2	113.4943	0.034	3	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]2)(C[5a]C[5a]C){2|C<3>,2|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.4880	0.000	1	113.4880	0.000	1	113.4943	0.034	3	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(N[5a]C[5a,6a]){1|H<1>,6|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2){1|C<4>,1|H<1>,6|C<3>}	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[5a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|C<4>,3|C<3>}	111.8015	0.303	2	111.8015	0.092	2	111.8015	0.092	2	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,4|C<3>}	113.2520	0.000	1	113.2520	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	113.2380	0.000	1	112.6987	0.323	4	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	112.5190	0.539	3	112.6987	0.323	4	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,5|C<3>}	112.2130	0.000	1	112.2130	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	111.8780	0.265	3	112.3538	0.480	5	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){2|H<1>,4|C<3>}	113.0675	0.288	2	112.3538	0.480	5	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,4|C<3>}	112.2750	0.000	1	112.2750	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<3>,6|C<3>}	112.3210	0.218	2	112.3210	0.047	2	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	113.7610	0.000	1	113.7610	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N){1|C<2>,1|C<4>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	112.8565	0.129	2	112.8565	0.017	2	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){1|H<1>,1|I<1>,3|C<3>,3|C<4>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,2|C<4>,3|C<3>}	113.2020	0.000	1	113.2020	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	112.7310	0.000	1	112.7310	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C[3])(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,2|H<1>,3|C<3>}	113.2700	0.000	1	113.2700	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	113.2930	0.000	1	113.2930	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	113.6480	0.000	1	113.6480	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.9720	0.000	1	113.4795	0.485	2	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.9870	0.000	1	113.4795	0.485	2	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	C[6a,6a]-3:N[5a,6a]-3:C[5a]-3:	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]P){1|N<3>,1|O<1>,2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C){1|H<1>,1|N<3>,1|O<1>,1|P<4>,2|C<3>}	113.5090	0.000	1	113.5090	0.000	1	112.8413	0.393	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	112.9110	0.000	1	112.6033	0.120	3	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	112.4495	0.312	2	112.6033	0.120	3	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.5850	0.000	1	112.5850	0.000	1	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|C<4>}	112.3510	0.000	1	112.3510	0.000	1	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.9050	0.000	1	112.9050	0.000	1	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.7995	0.129	2	112.7995	0.017	2	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|H<1>,1|N<2>,4|C<3>}	112.5920	0.000	1	112.5920	0.000	1	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<2>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	113.7270	0.000	1	112.9767	0.533	3	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.2680	0.000	1	112.9767	0.533	3	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.9350	0.000	1	112.9767	0.533	3	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|F<1>,1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]F)(C[6a]C[6a]H){2|C<3>,2|H<1>}	113.2830	0.000	1	113.2830	0.000	1	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	112.5500	0.000	1	112.4430	0.023	2	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.3360	0.000	1	112.4430	0.023	2	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	113.2180	0.000	2	113.2180	0.000	2	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	112.9060	0.000	1	112.9060	0.000	1	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	113.0810	0.204	2	113.0810	0.041	2	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<2>,2|H<1>}	113.5050	0.000	1	113.5050	0.000	1	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>}	113.2205	0.424	4	113.2205	0.179	4	112.9133	0.180	25	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	111.9630	0.000	1	111.9630	0.000	1	111.5897	0.182	6	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>}	111.5030	0.000	1	111.5030	0.000	1	111.5897	0.182	6	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|C<3>,3|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]Br)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	112.1150	0.000	1	112.1150	0.000	1	111.5897	0.182	6	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,4|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|H<1>,1|O<1>,2|C<3>}	111.1255	0.207	2	111.1255	0.043	2	111.5897	0.182	6	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:N[6a]-3:	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(N[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>}	111.7060	0.000	1	111.7060	0.000	1	111.5897	0.182	6	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]C[5a]H){1|O<1>,3|C<3>}	112.2180	0.000	1	112.2180	0.000	1	112.2180	0.000	1	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|O<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|H<1>,3|C<3>}	114.5360	0.000	1	114.5360	0.000	1	114.6670	0.034	2	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){2|C<3>,2|H<1>}	114.7980	0.000	1	114.7980	0.000	1	114.6670	0.034	2	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:N[5a,6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a])	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a,6a]2)(N[5a]C[5a,6a]){1|C<4>,1|N<3>,5|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[5a,6a]C[6a]){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[6a,6a]N[5a]){1|C<4>,1|H<1>,2|N<2>,4|C<3>}	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a,6a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-2:	N[5a,6a]-3:C[5a]-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	N[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	113.3750	0.000	1	113.3750	0.000	1	113.3750	0.000	1	112.8443	0.596	67	111.3903	3.173	336	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:2:1:	3:3:	3:3:3:	C[5,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:N[5]-3:	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H)	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5,5a]C[6a])(N[5a]C[5,5a]H){1|C<3>,1|N<3>,2|N<2>}	C[5,5a](N[5,5a]C[5a]N[5])(N[5a]N[5a]H)(N[5]C[5]H){1|C<3>,1|C<4>}	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.2620	0.000	1	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:2:3:	3:3:	3:3:4:	C[5,5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){1|C<4>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	110.0580	0.000	1	110.0580	0.000	1	110.1200	0.008	2	110.1200	0.008	2	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:2:3:	3:3:	3:3:4:	C[5,5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(COO){1|C<4>,2|H<1>,2|N<3>}	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|C<3>,1|N<3>,2|H<1>}	110.1820	0.000	1	110.1820	0.000	1	110.1200	0.008	2	110.1200	0.008	2	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:2:3:	3:3:	3:4:3:	C[5,5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5,5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C)	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CCO){2|H<1>,3|C<4>}	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a]C){2|C<4>}	C[5,5a](C[5,5a]C[5,6]C[5a])(C[5]C[5,6]HH)(N[5a]N[5a]C){1|H<1>,4|C<4>}	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	110.4490	0.000	1	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:2:4:	3:3:	3:3:4:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:C[5]-4:	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<4>,2|H<1>}	N[5a](C[5a]C[5,5a]N)(N[5a]C[5,5a]C){2|C<4>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a]C)(C[5]N[5]HH){1|N<2>,4|H<1>}	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	110.2060	0.000	1	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:2:4:	3:3:	4:3:3:	C[5,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5,6]-4:C[5,5a]-3:N[5a]-3:	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]C)	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5,5a]C[5,5a]C[5,6])(N[5a]C[5a])(CH3){1|H<1>,4|C<4>}	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a]C){2|C<4>}	C[5,5a](C[5,6]C[5,6]C[6]C)(C[5,5a]C[5a]C[5])(N[5a]N[5a]C){2|C<4>,6|H<1>}	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:3:2:	3:3:	3:3:2:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5,5a]-3:N[5a]-3:O[5]-2:	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5])	N[5a](C[5,5a]C[5,5a]O[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])(O[5]C[5,5]){2|C<4>,5|C<3>}	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	108.1330	0.000	1	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5,5a]	3:3:2:	3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[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)(N[5a]C[5a])	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C)	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a])	N[5a](C[5,5a]C[5,5a]C[5,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5,5a]C[6a])(C[5a]C[5,5a]C){1|C<4>,3|C<3>}	C[5,5a](C[5,6a]C[5,6a]C[6a])(C[5,5a]C[5a]C[5])(N[5a]C[6a]N[5a]){1|C<4>,2|H<1>,5|C<3>}	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.9420	0.000	1	109.7806	0.561	8	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:1:	3:2:	3:3:3:	C[5a,5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a,5a]O)(N[5a]C[5a,5a])	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|C<4>,1|N<2>}	N[5a](N[5a]C[5a,5a]O)(N[5a]C[5a,5a]){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O){1|N<3>}	108.0075	0.248	2	108.0075	0.062	2	108.0075	0.062	2	108.0075	0.062	2	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:1:	3:3:	3:3:2:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){1|C<3>,3|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	109.9610	0.000	1	109.9297	0.050	4	109.8470	0.072	5	109.8470	0.072	5	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:1:	3:3:	3:3:2:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,5a]C[6a])(N[5a]C[5a,5a]H){2|C<3>,2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>}	109.9193	0.274	3	109.9297	0.050	4	109.8470	0.072	5	109.8470	0.072	5	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:1:	3:3:	3:3:2:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H)	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a,5a]N)(N[5a]C[5a,5a]H){2|N<2>}	C[5a,5a](N[5a,5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){2|N<3>}	109.5160	0.000	1	109.5160	0.000	1	109.8470	0.072	5	109.8470	0.072	5	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:1:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]H)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(H){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]H){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]H){1|H<1>,1|N<3>}	110.5394	0.324	5	110.5394	0.105	5	110.5394	0.105	5	110.5394	0.105	5	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]N)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(C[5]N[5]2){3|N<2>,3|N<3>}	N[5a](N[5a]C[5a,5a]C[5])(C[5a]C[5a,5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C[5])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	110.5120	0.222	3	110.5120	0.049	3	110.5120	0.049	3	110.7140	0.196	4	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:3:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]N)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(NHH){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]N){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]N){2|N<3>}	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	110.7140	0.196	4	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:2:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a,5a]C)(N[5a]N[5a,5a])	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,6a]N[5a,5a])(N[5a]N[5a])(CH3){3|C<3>}	N[5a](N[5a]C[5a,5a]C)(N[5a]N[5a,5a]){2|C<3>}	C[5a,5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,5a]C[5a]N[5a])(N[5a]N[5a]C){1|H<1>,3|C<3>}	109.5565	0.165	2	109.5565	0.027	2	109.5565	0.027	2	109.5565	0.027	2	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C){1|C<3>,1|N<2>}	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<2>,1|C<4>}	109.6820	0.000	1	109.2043	0.572	4	109.2043	0.572	4	109.2043	0.572	4	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:2:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a]C[5a,5a]C)(N[5a]C[5a,5a]C){1|C<3>,1|N<2>}	C[5a,5a](C[5a,5a]C[5a]2)(N[5a]N[5a]C)(N[5a]S[5a]){1|C<3>,1|C<4>}	109.0450	0.840	3	109.2043	0.572	4	109.2043	0.572	4	109.2043	0.572	4	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CHHO){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	110.2000	0.000	1	110.2000	0.000	1	110.4975	0.177	2	111.4286	1.727	16	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]C[5a])(CN3){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|C<3>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(C[5a]N[5a]N)(N[5a]N[5a]C){1|C<4>,1|N<3>}	110.7950	0.000	1	110.7950	0.000	1	110.4975	0.177	2	111.4286	1.727	16	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<3>,1|O<1>,2|N<2>}	N[5a](C[5a]C[5a,5a]N)(N[5a]C[5a,5a]C){1|N<2>,1|N<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]N[5a]O){1|N<3>}	109.0935	0.264	2	109.0935	0.070	2	109.0935	0.070	2	111.4286	1.727	16	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(N[5a]C[5a])(CH3){1|N<2>,3|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<3>,3|C<3>}	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C){1|H<1>,3|C<3>}	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	111.4286	1.727	16	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CCHH){2|C<3>,2|N<2>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	112.1120	0.000	1	112.1120	0.000	1	112.2145	0.176	11	111.4286	1.727	16	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CC[6a]HH){2|C<3>,2|N<2>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	111.7850	0.000	1	111.7850	0.000	1	112.2145	0.176	11	111.4286	1.727	16	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:2:4:	3:3:	3:3:3:	C[5a,5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-3:	C[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(N[5a]N[5a])(CH3){2|C<3>,2|N<2>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)(N[5a]N[5a]C){3|C<3>}	112.2736	0.438	9	112.2736	0.192	9	112.2145	0.176	11	111.4286	1.727	16	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C)	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a])	N[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]N[5a,5a]C){1|N<2>,3|C<3>}	C[5a,5a](N[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]){5|C<3>}	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	110.4928	0.086	13	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	110.4429	0.299	8	110.4696	0.095	11	110.4935	0.093	12	110.4928	0.086	13	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|C<4>}	N[5a](N[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C){1|N<2>,3|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,3|C<3>}	110.5410	0.392	3	110.4696	0.095	11	110.4935	0.093	12	110.4928	0.086	13	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:2:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])2	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|C<4>,4|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])2{1|N<2>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){4|C<3>}	110.7560	0.000	1	110.7560	0.000	1	110.4935	0.093	12	110.4928	0.086	13	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]N)	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[5a]N[5a]2)(N[5a]C[5a]){2|N<2>,4|N<3>}	N[5a](N[5a]C[5a,5a]C[5a])(C[5a]C[5a,5a]N){1|C<3>,1|N<3>,2|N<2>}	C[5a,5a](C[5a,5a]C[5a]N[5a])(N[5a]C[5a]N[5a])(C[5a]N[5a]N){1|C<3>,1|N<3>,2|N<2>}	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.1583	2.338	8	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,5a]-3:N[5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a])	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]C[5a,5a]C[6a]){1|N<3>,5|C<3>}	C[5a,5a](C[5a,5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[5a]C[5a,6a]H){5|C<3>}	109.4980	0.385	2	109.4980	0.148	2	109.4980	0.148	2	110.1583	2.338	8	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a,5a]-3:C[5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C){4|C<3>}	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(C[5a]N[5a]C){1|Ni<4>,4|C<3>}	111.4340	0.116	2	111.4340	0.013	2	111.4340	0.013	2	110.1583	2.338	8	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C)	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]C){1|N<3>,3|C<3>}	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,4|C<3>}	108.3080	0.000	1	108.3080	0.000	1	108.2315	0.012	2	110.1583	2.338	8	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a,5a]-3:N[5a]-3:	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H)	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C)	N[5a](C[5a,5a]C[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,5a]C[6a])(C[5a]C[5a,5a]H){1|N<3>,3|C<3>}	C[5a,5a](N[5a]C[6a]N[5a])(C[5a,5a]C[5a]2)(N[5a]N[5a]C){1|H<1>,3|C<3>}	108.1550	0.000	1	108.1550	0.000	1	108.2315	0.012	2	110.1583	2.338	8	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,5a]	3:3:2:	3:3:	3:3:3:	C[5a,5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a,5a]-3:	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,5a]C[6a])2	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2)	N[5a](C[5a,5a]C[5a,5a]C[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,2|N<2>,4|C<3>}	N[5a](N[5a]C[5a,5a]C[6a])2{1|N<2>,5|C<3>}	C[5a,5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[5a,5a]N[5a]2){5|C<3>}	112.2450	0.000	1	112.2450	0.000	1	112.2450	0.000	1	110.1583	2.338	8	110.4621	1.453	59	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a,6]H)(N[5a]C[5a,6]){1|C<3>,1|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]H)(N[6]C[6]){3|N<3>}	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	109.8820	0.000	1	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<4>,1|O<2>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]H)(O[6]C[6]){1|C<4>,1|N<3>,3|C<3>}	102.5650	1.530	2	102.5650	2.341	2	102.5650	2.341	2	102.5650	2.341	2	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|C<3>,1|O<1>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	112.5600	0.000	1	112.5600	0.000	1	110.9735	5.034	2	111.9248	1.278	8	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H){2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H){1|C<2>,3|H<1>}	109.3870	0.000	1	109.3870	0.000	1	110.9735	5.034	2	111.9248	1.278	8	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]N[6,6])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]N[5a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	111.6455	0.374	2	111.6455	0.140	2	111.6455	0.140	2	111.9248	1.278	8	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H)	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]H){1|C<3>,1|C<4>}	C[5a,6](C[6,6a]C[6,6a]N[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){2|C<3>,2|C<4>,2|H<1>}	112.1060	0.000	1	112.1060	0.000	1	112.5400	0.097	4	111.9248	1.278	8	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|C<4>,3|C<3>,3|H<1>}	112.7750	0.000	1	112.7750	0.000	1	112.5400	0.097	4	111.9248	1.278	8	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|C<4>,3|C<3>,3|H<1>}	112.5220	0.000	1	112.6395	0.028	2	112.5400	0.097	4	111.9248	1.278	8	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]H){4|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	112.7570	0.000	1	112.6395	0.028	2	112.5400	0.097	4	111.9248	1.278	8	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H){2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	111.6550	0.000	1	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[6]-4:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]H){2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]HH)(N[5a]N[5a]H){2|C<4>,4|H<1>}	111.2638	1.198	14	111.2638	1.434	14	111.2638	1.434	14	111.2638	1.434	14	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:3:	3:2:	3:3:4:	C[5a,6]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CCC){1|C<3>,1|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:3:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]O){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](C[5a]C[5a,6]S)(N[5a]C[5a,6]C){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	111.1995	0.131	2	111.1995	0.017	2	111.1995	0.017	2	111.1995	0.017	2	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>}	110.0128	0.137	5	110.0128	0.019	5	110.0128	0.019	5	109.8810	0.119	6	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:2:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|O<2>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(N[5a]N[5a]C)(O[6]C[6]){2|C<3>,2|H<1>}	109.2220	0.000	1	109.2220	0.000	1	109.2220	0.000	1	109.8810	0.119	6	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[5]HH){1|O<1>,2|C<3>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C){1|O<1>,2|C<3>}	109.6400	0.000	1	109.6400	0.000	1	109.6400	0.000	1	109.6587	1.165	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|I<1>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I){1|C<3>,1|S<2>,2|H<1>}	110.7470	0.000	1	110.7470	0.000	1	110.7470	0.000	1	109.6587	1.165	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:2:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a,6]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]N[5a,6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){1|C<4>,1|N<3>}	C[5a,6](N[5a,6]N[5a,6]C[5a])(C[5a,6]C[6,6]N[5a])(N[5a]N[5a]C){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	108.5890	0.000	1	108.5890	0.000	1	108.5890	0.000	1	109.6587	1.165	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:2:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[3,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6])	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[3,6])(N[5a]N[5a])(CC[6a]HH){1|O<2>,3|C<4>}	N[5a](N[5a]C[5a,6]C)(N[5a]C[5a,6]){2|C<4>}	C[5a,6](C[3,6]C[3]C[6]O[3])(C[5a,6]N[5a]C[6])(N[5a]N[5a]C){1|C<4>,1|O<2>,5|H<1>}	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	110.2300	0.000	1	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<4>,1|N<2>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|S<2>,2|H<1>,2|N<3>}	111.1730	0.000	1	111.1730	0.000	1	111.2096	0.001	5	111.1526	0.723	7	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	111.2500	0.000	1	111.2500	0.000	1	111.2096	0.001	5	111.1526	0.723	7	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|N<3>,1|S<1>,2|H<1>}	111.2500	0.000	1	111.2500	0.000	1	111.2096	0.001	5	111.1526	0.723	7	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<4>,1|N<2>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<3>,1|S<2>,2|C<2>}	111.1860	0.000	1	111.1860	0.000	1	111.2096	0.001	5	111.1526	0.723	7	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|N<2>,1|S<2>}	C[5a,6](C[5a,6]C[5a]S[6])(N[5a]N[5a]C)(N[6]C[6]){1|C<2>,1|C<4>,1|S<2>}	111.1890	0.000	1	111.1890	0.000	1	111.2096	0.001	5	111.1526	0.723	7	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a])(CC3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	111.1526	0.723	7	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:2:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6])	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a])(CH3){1|N<2>,2|C<3>}	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6]C){1|C<3>,1|N<2>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a]C)(N[6]C[6]){1|C<4>,1|N<2>,2|C<3>}	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	111.1526	0.723	7	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6,6a]-3:C[6,6a]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a])(CCHH){4|C<3>}	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6]C){1|H<1>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[5a]N[5a]C){1|H<1>,5|C<3>}	114.2300	0.745	2	114.2300	0.555	2	114.2300	0.555	2	112.1600	5.963	4	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>,2|C<4>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<4>,1|N<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(N[6]C[6,6]H){1|H<1>,2|C<3>,2|C<4>}	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	112.1600	5.963	4	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:3:	C[5a,6]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]S){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]N[5a]S){1|O<2>,3|C<3>,3|H<1>}	109.7790	0.000	1	109.7790	0.000	1	109.7790	0.000	1	112.1600	5.963	4	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CCCH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	112.5640	0.000	1	112.5640	0.000	1	112.4820	0.016	3	112.4820	0.016	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[5a]HH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	112.5470	0.000	1	112.5470	0.000	1	112.4820	0.016	3	112.4820	0.016	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C){2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,4|H<1>}	112.3350	0.000	1	112.3350	0.000	1	112.4820	0.016	3	112.4820	0.016	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	3:4:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6]-3:C[5,6]-4:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]C[5a])(CH3){1|C<4>,4|C<3>}	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6]C){1|C<3>,1|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5,6]C[5]2C[6])(N[5a]N[5a]C){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	111.2220	0.000	1	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:4:	3:3:	4:3:3:	C[5a,6]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5,6,6]-4:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C)	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C)	N[5a](C[5a,6]C[5,6,6]C[5a,6])(N[5a]C[5a])(CH3){2|H<1>,3|C<4>}	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6]C){2|C<4>}	C[5a,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5a,6]C[5,6,6]C[5a])(N[5a]N[5a]C){1|C<3>,4|C<4>,4|H<1>}	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	111.9480	0.000	1	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	109.8548	0.109	10	109.8548	0.012	10	109.8814	0.018	11	109.9506	0.054	13	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	110.1470	0.000	1	110.1470	0.000	1	109.8814	0.018	11	109.9506	0.054	13	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	110.0820	0.000	1	110.3315	0.125	2	110.3315	0.125	2	109.9506	0.054	13	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,4|C<3>}	110.5810	0.000	1	110.3315	0.125	2	110.3315	0.125	2	109.9506	0.054	13	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	110.0690	0.000	1	110.0773	0.045	3	110.0773	0.045	3	110.0773	0.045	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){3|C<3>,3|H<1>}	109.8690	0.000	1	110.0773	0.045	3	110.0773	0.045	3	110.0773	0.045	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:2:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(N[5a]C[5a,6]){2|C<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	110.2940	0.000	1	110.0773	0.045	3	110.0773	0.045	3	110.0773	0.045	3	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|H<1>,5|C<3>}	109.4850	0.000	1	109.4850	0.000	1	109.1912	0.126	4	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	108.7930	0.000	1	109.0933	0.131	3	109.1912	0.126	4	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	109.2435	0.356	2	109.0933	0.131	3	109.1912	0.126	4	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){2|C<4>,2|H<1>,3|C<3>}	110.1160	0.000	1	110.1160	0.000	1	110.5027	0.120	3	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-2:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S){1|N<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]){1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	110.6960	0.123	2	110.6960	0.015	2	110.5027	0.120	3	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){2|C<4>,5|C<3>}	109.0565	0.383	2	109.0565	0.146	2	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<2>,5|C<3>}	108.7895	0.716	2	109.1015	0.363	4	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|N<3>,5|C<3>}	109.4135	0.431	2	109.1015	0.363	4	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6,6a]){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.1037	0.365	3	109.1037	0.133	3	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	109.2090	0.000	1	108.9339	0.417	13	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	109.7930	0.000	1	108.9339	0.417	13	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	108.5500	0.000	1	108.9339	0.417	13	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	109.4320	0.321	3	108.9339	0.417	13	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	108.5812	0.682	6	108.9339	0.417	13	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|N<3>,2|C<4>,4|C<3>}	108.8060	0.000	1	108.9339	0.417	13	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]N[6])(N[5a]C[6a]N[5a])(O[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	109.8430	0.000	1	109.8430	0.000	1	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|H<1>,3|C<3>,4|C<4>}	109.4790	0.000	1	109.5483	0.004	3	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	109.5560	0.000	1	109.5483	0.004	3	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6,6]){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.6100	0.000	1	109.5483	0.004	3	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<4>,4|C<3>}	110.3550	0.000	1	109.4777	0.185	9	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){1|H<1>,3|C<3>,4|C<4>}	109.5480	0.000	1	109.4777	0.185	9	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	109.2805	0.289	6	109.4777	0.185	9	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:O[6]-2:	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6])	N[5a](C[5a,6]C[5a,6]O[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(O[6]C[6]){3|C<3>,5|C<4>}	109.7130	0.000	1	109.4777	0.185	9	109.1931	0.308	35	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:2:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:S[6]-2:	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6])	N[5a](C[5a,6]C[5a,6]S[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[6,6]C[5a])(N[5a]C[6a]N[5a])(S[6]C[6]){2|C<4>,3|C<3>,3|H<1>}	110.8230	0.000	1	110.8230	0.000	1	110.8230	0.000	1	109.3222	0.433	43	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a])	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6]C[6a]){1|C<4>,5|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5,6]C[5a])(N[5a]C[6a]N[5a]){1|H<1>,8|C<3>}	111.8300	0.000	1	111.8300	0.000	1	111.8300	0.000	1	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	110.9560	0.000	1	110.9560	0.000	1	111.2655	0.192	2	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	111.5750	0.000	1	111.5750	0.000	1	111.2655	0.192	2	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	110.4759	0.305	7	110.5805	0.094	12	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	110.7270	0.269	5	110.5805	0.094	12	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|C<4>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	109.6720	0.000	1	109.9310	0.251	9	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	109.8289	0.392	7	109.9310	0.251	9	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	110.9050	0.000	1	109.9310	0.251	9	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6])	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	110.2050	0.550	2	110.2050	0.303	2	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,2|C<4>,4|H<1>}	110.7475	0.080	2	110.7190	0.004	4	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6]H){2|C<3>,3|C<4>,3|H<1>}	110.6905	0.036	2	110.7190	0.004	4	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:N[6]-3:	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H)	N[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(N[6]C[6,6a]H){3|H<1>,4|C<3>}	110.2730	0.000	1	110.2730	0.000	1	110.3537	0.228	28	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[6,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]N[6,6])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,4|C<4>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[6,6]C[6,6]C[6])(N[5a]C[6a]N[5a]){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	110.2387	0.261	4	110.2387	0.068	4	110.2387	0.068	4	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){1|S<2>,3|H<1>,5|C<3>}	112.0995	0.040	2	111.7637	0.339	3	111.7637	0.339	3	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:3:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6,6a]-3:C[5a,6]-3:N[5a]-3:	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])	N[5a](C[5a,6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,3|C<3>}	C[5a,6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a]){2|C<4>,3|H<1>,4|C<3>}	111.0920	0.000	1	111.7637	0.339	3	111.7637	0.339	3	110.5398	0.427	38	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|C<3>,5|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	111.4975	0.306	2	111.4975	0.094	2	111.5890	0.109	5	111.5890	0.109	5	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]S){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	112.0930	0.000	1	112.0930	0.000	1	111.5890	0.109	5	111.5890	0.109	5	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:3:2:	3:3:	3:3:4:	C[5a,6]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN)	N[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6]C[6a])(C[5a]C[5a,6]C){1|C<4>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6]HN){1|C<3>,1|N<2>,1|O<1>,4|C<4>}	111.4285	0.139	2	111.4285	0.019	2	111.5890	0.109	5	111.5890	0.109	5	110.3002	2.180	157	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:Cl-1:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl)	N[5a](N[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(Cl){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|H<1>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){3|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,4|C<3>}	106.2560	0.000	1	106.2560	0.000	1	111.0331	1.917	22	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>}	111.0480	0.000	1	111.0480	0.000	1	111.0331	1.917	22	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|H<1>}	111.2996	0.966	18	111.3041	0.882	19	111.0331	1.917	22	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,2|O<2>}	111.3840	0.000	1	111.3041	0.882	19	111.0331	1.917	22	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(H){1|N<2>,2|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>}	110.6470	0.000	1	110.6470	0.000	1	111.0331	1.917	22	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a])(H){3|C<3>}	N[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]H){1|H<1>,1|N<2>,3|C<3>}	110.1620	0.000	1	110.1620	0.000	1	110.1620	0.000	1	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(O){1|C<3>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O){1|Cl<1>,1|N<2>}	110.4880	0.286	2	110.4880	0.082	2	110.4880	0.082	2	110.9995	1.713	26	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,2|H<1>}	110.6947	0.284	3	110.8100	0.084	6	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	110.9253	0.299	3	110.8100	0.084	6	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]H){1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){2|C<3>,2|H<1>}	111.9940	0.000	1	111.9940	0.000	1	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,2|C<3>}	111.3590	0.000	1	111.3590	0.000	1	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,3|C<3>}	111.4470	0.000	1	111.4470	0.000	1	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,2|N<3>}	111.3075	0.214	8	111.3149	0.036	10	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	111.3020	0.000	1	111.3149	0.036	10	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	111.3870	0.000	1	111.3149	0.036	10	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|I<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<3>,1|I<1>,2|H<1>}	110.9380	0.000	1	110.9380	0.000	1	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,2|C<3>}	111.8170	0.000	1	111.8170	0.000	1	111.2173	0.148	21	111.2173	0.148	21	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	C[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)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]C[5a])(H){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|F<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|F<1>}	111.5003	0.311	7	111.5003	0.097	7	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	111.6747	0.533	3	112.1445	0.758	10	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	112.5280	2.099	2	112.1445	0.758	10	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|S<2>,2|C<3>}	111.8760	0.297	2	112.1445	0.758	10	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){2|C<3>,2|H<1>}	112.5377	0.315	3	112.1445	0.758	10	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]H){2|C<3>,2|F<1>}	111.4753	0.350	3	111.4753	0.123	3	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	112.0350	0.000	1	112.0350	0.000	1	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|Cl<1>,1|C<3>,2|H<1>}	112.4730	0.000	1	112.4730	0.000	1	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	111.3930	0.000	1	111.3930	0.000	1	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	112.0120	0.000	1	111.4013	0.282	3	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,3|H<1>}	111.0960	0.074	2	111.4013	0.282	3	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,3|H<1>}	111.9553	0.502	3	111.9553	0.252	3	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,3|H<1>}	111.7590	0.134	2	111.7590	0.018	2	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	111.4160	0.000	1	111.4160	0.000	1	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]C)(N[5a]N[5a]H){1|C<3>,2|H<1>}	111.9930	0.000	1	111.9930	0.000	1	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,2|H<1>}	112.0025	0.309	4	112.0025	0.095	4	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]N[5a]H){1|C<3>,1|N<2>,2|H<1>}	111.4940	0.000	1	111.4940	0.000	1	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N[6])(N[5a]C[5a,6a]H){2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|N<3>,2|H<1>}	112.4390	0.843	4	112.4390	0.710	4	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]H){1|C<3>,1|O<2>,2|H<1>}	111.1090	0.000	1	111.1090	0.000	1	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	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])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]O)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[6a])(N[5a]N[5a]H){1|O<2>,4|C<3>}	110.3790	0.041	2	110.3790	0.002	2	111.7866	0.479	45	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.3690	0.000	1	112.3690	0.000	1	111.8457	0.260	4	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	111.9220	0.000	1	111.9220	0.000	1	111.8457	0.260	4	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){1|N<3>,2|H<1>,3|C<3>}	111.9460	0.000	1	111.5460	0.320	2	111.8457	0.260	4	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:1:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H){2|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]H){3|C<3>,3|H<1>}	111.1460	0.000	1	111.5460	0.320	2	111.8457	0.260	4	111.7834	0.450	50	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a])	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OC[6a]){2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a]){1|C<3>,2|H<1>}	112.8595	0.053	2	112.8595	0.003	2	112.0958	0.795	4	112.0958	0.795	4	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(OH){2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]O)(N[6a]C[6a]){1|C<3>,2|H<1>}	111.3320	0.223	2	111.3320	0.050	2	112.0958	0.795	4	112.0958	0.795	4	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	112.8840	0.390	9	112.8840	0.152	9	112.8353	0.181	12	112.8353	0.181	12	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4])	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[4]){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	112.5370	0.000	1	112.5370	0.000	1	112.8353	0.181	12	112.8353	0.181	12	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a])	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OC[6a]){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	113.3410	0.000	1	113.3410	0.000	1	112.8353	0.181	12	112.8353	0.181	12	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(OH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]O)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]O){1|C<3>,2|H<1>}	112.1900	0.000	1	112.1900	0.000	1	112.8353	0.181	12	112.8353	0.181	12	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.7666	0.285	8	109.7666	0.081	8	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.8190	0.000	1	109.8190	0.000	1	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.6047	0.193	4	109.6575	0.084	6	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	109.7630	0.526	2	109.6575	0.084	6	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.0210	0.000	1	109.0210	0.000	1	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]O){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.4980	0.383	2	109.4980	0.147	2	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.4980	0.027	2	109.4980	0.001	2	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.1155	0.008	2	110.1155	0.000	2	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CNS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.8230	0.000	1	109.8230	0.000	1	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]S){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.1960	0.000	1	109.1960	0.000	1	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|O<2>}	109.4860	0.000	1	109.4860	0.000	1	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(COS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.3285	0.479	2	109.3285	0.229	2	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CSiC){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.6640	0.302	6	109.6640	0.091	6	109.6451	0.105	33	109.6451	0.105	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCN){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){2|C<3>,2|H<1>}	111.2400	0.000	1	111.2400	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Br)(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]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	111.2790	0.010	2	111.2790	0.000	2	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]C){1|H<1>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	110.9920	0.000	1	110.9920	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(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]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	111.2750	0.000	1	111.2750	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	110.9040	0.000	1	111.1907	0.090	6	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	111.2480	0.297	5	111.1907	0.090	6	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]O){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	110.9680	0.000	1	110.9680	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]O){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	111.0650	0.000	1	111.0650	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNN){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,1|H<1>,2|N<3>}	112.1700	0.000	1	112.1700	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	110.9670	0.000	1	110.9670	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CNS)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CNS){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	110.3220	0.000	1	110.3220	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(COO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(COO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){2|C<3>,2|H<1>}	111.8480	0.000	1	111.8480	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[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])(N[5a]C[5a])(CPdN)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CPdN){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	110.2830	0.000	1	110.2830	0.000	1	111.1573	0.211	18	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C[5]-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])(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(C[5]C[5]2){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	111.0810	0.000	1	111.0810	0.000	1	111.0810	0.000	1	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:3:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:N-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])(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(NOO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]N){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]N){1|C<3>,3|H<1>}	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	111.2707	0.464	20	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[5a]HH){2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|O<1>,2|N<3>}	110.1420	0.000	1	110.1420	0.000	1	109.5424	0.159	5	109.5424	0.159	5	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CC[6a]HH){2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>}	109.3120	0.233	3	109.3120	0.054	3	109.5424	0.159	5	109.5424	0.159	5	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a])(CH3){2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|H<1>}	109.6340	0.000	1	109.6340	0.000	1	109.5424	0.159	5	109.5424	0.159	5	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a])(CC[6a]HH){3|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C){1|S<2>,2|C<3>,2|H<1>}	110.1645	0.255	2	110.1645	0.065	2	110.1645	0.065	2	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCCH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.4335	0.562	4	110.4335	0.316	4	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){3|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C[5a])(N[5a]N[5a]C){1|N<2>,1|S<2>,3|C<3>}	110.2260	0.054	2	110.2260	0.003	2	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.1467	0.354	72	110.1467	0.125	72	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.8940	0.000	1	109.8940	0.000	1	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[5a]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.1665	0.139	2	110.1665	0.019	2	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]2C){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.7722	0.380	4	109.7722	0.144	4	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]CH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.0900	0.406	3	110.0900	0.165	3	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<2>,1|C<4>,3|C<3>}	109.8950	0.000	1	109.8950	0.000	1	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	110.6865	0.163	2	110.6865	0.027	2	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]O[6a]O)(N[5a]N[5a]C){2|C<3>}	109.5580	0.000	1	109.5580	0.000	1	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.8043	1.075	12	109.8532	1.090	13	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	110.4400	0.000	1	109.8532	1.090	13	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	109.7520	0.000	1	110.2354	0.139	5	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CC[6a]HO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.3563	0.297	4	110.2354	0.139	5	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CClHH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.7810	0.000	1	109.7810	0.000	1	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	110.2010	0.000	1	110.2245	0.001	2	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CH3){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,1|N<2>}	110.2480	0.000	1	110.2245	0.001	2	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHN){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.9418	0.394	5	109.9418	0.155	5	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.2430	0.249	2	110.2430	0.062	2	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CHHS){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.1580	0.000	1	110.1580	0.000	1	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.1457	0.327	24	110.1457	0.107	24	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]CH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.8525	0.315	2	109.8525	0.099	2	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[5a]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	110.4500	0.000	1	110.4500	0.000	1	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH)	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(CN[6]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.9840	0.000	1	109.9840	0.000	1	110.1117	0.210	149	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SCOO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	109.8790	0.000	1	109.8790	0.000	1	109.8710	0.033	4	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SC[6a]OO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	109.8920	0.000	1	109.8920	0.000	1	109.8710	0.033	4	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SNOO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	110.0770	0.000	1	110.0770	0.000	1	109.8710	0.033	4	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO)	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a])(SN[5a]OO){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]S)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,2|H<1>}	109.6360	0.000	1	109.6360	0.000	1	109.8710	0.033	4	110.1062	0.205	155	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:2:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[6a]C[6a,6a])(N[5a]N[5a]C){1|C<4>,3|C<3>}	110.8220	0.000	1	110.8220	0.000	1	111.2945	0.447	2	111.2945	0.447	2	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:2:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[6a]-2:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<3>,1|C<4>,1|S<2>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]S[6a])(N[6a]C[5,6a])(N[5a]N[5a]C){1|C<3>,1|C<4>,1|S<2>}	111.7670	0.000	1	111.7670	0.000	1	111.2945	0.447	2	111.2945	0.447	2	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<2>}	111.1830	0.000	1	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|Cl<1>,1|H<1>,1|N<2>,1|S<4>}	111.2670	0.000	1	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	111.0907	0.406	4	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<2>}	111.0170	0.226	3	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,1|S<4>}	110.5695	0.230	2	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|S<2>}	110.8341	0.148	11	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>}	110.9390	0.251	11	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CCHH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	111.4240	0.000	1	110.9391	0.073	34	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|C<3>,3|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){2|C<3>,2|H<1>}	112.4850	1.250	2	111.9057	1.788	3	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,3|C<3>}	110.7470	0.000	1	111.9057	1.788	3	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|N<2>,2|H<1>}	110.8440	0.000	1	110.8440	0.000	1	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP)	N[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HP){1|S<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]S)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|S<2>}	111.4880	0.000	1	111.4880	0.000	1	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	110.4530	0.969	2	110.4530	0.938	2	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,1|S<2>,2|C<3>}	111.2400	0.000	1	111.1292	0.051	4	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	110.9490	0.113	2	111.1292	0.051	4	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|S<2>,3|C<3>}	111.3790	0.000	1	111.1292	0.051	4	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<4>,3|C<3>}	111.3840	0.000	1	111.3840	0.000	1	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	111.3205	0.077	2	111.2549	0.105	7	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>}	111.5930	0.096	2	111.2549	0.105	7	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|O<2>,2|H<1>}	110.7450	0.000	1	111.2549	0.105	7	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<2>,1|S<2>,2|H<1>}	111.2960	0.000	1	111.2549	0.105	7	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:2:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>}	110.9160	0.000	1	111.2549	0.105	7	111.0485	0.225	53	111.0485	0.225	53	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:B-4:	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])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|F<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]B){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){1|C<3>,1|C<4>,2|F<1>}	114.2467	0.743	6	114.2467	0.552	6	110.6207	7.956	17	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:B-4:	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])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|F<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]B){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]F)(N[5a]N[5a]B){2|C<3>,2|F<1>}	108.6429	0.512	11	108.6429	0.262	11	110.6207	7.956	17	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	112.1055	0.401	4	112.1055	0.161	4	112.0190	0.158	5	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	C[5a,6,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6,6a]C[6a])(N[5a]C[5a,6])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a,6]C[5a,6,6a]C[6,6a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	111.6730	0.000	1	111.6730	0.000	1	112.0190	0.158	5	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|N<2>,2|H<1>}	110.0070	0.000	1	110.0070	0.000	1	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Br)(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]N[5a]C){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	111.1833	0.165	3	111.2815	0.057	4	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Br)(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]N[5a]C){1|Br<1>,1|C<3>,2|H<1>}	111.5760	0.000	1	111.2815	0.057	4	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){2|C<3>,2|H<1>}	112.1675	0.240	2	112.1675	0.057	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	111.4700	0.000	1	111.4700	0.000	1	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(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]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	111.1823	0.316	3	111.3826	0.166	5	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(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]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	111.3970	0.000	1	111.3826	0.166	5	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(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]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	111.9690	0.000	1	111.3826	0.166	5	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,1|N<3>,2|H<1>}	111.0093	0.333	4	111.2439	0.138	8	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	111.4785	0.252	4	111.2439	0.138	8	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[5]HH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	111.4340	0.000	1	111.4340	0.000	1	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]CH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	111.4030	0.231	2	111.4030	0.053	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){2|C<3>,2|H<1>}	111.6877	0.336	15	111.6877	0.113	15	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.0790	0.000	1	111.0790	0.000	1	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	111.5960	0.049	3	111.5960	0.002	3	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CC[6a]HH)	N[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]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	N[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]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	111.9360	0.000	1	111.9360	0.000	1	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.1590	0.000	1	111.8426	0.239	10	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){1|C<3>,1|C<4>,2|H<1>}	111.4880	0.557	2	111.8426	0.239	10	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	111.6135	0.117	2	111.8426	0.239	10	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(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]N[5a]C){2|C<3>,2|H<1>}	112.2128	0.280	5	111.8426	0.239	10	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|O<2>,3|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.3600	0.000	1	111.3600	0.000	1	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,1|N<3>,1|O<1>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]O)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|H<1>}	110.8910	0.059	2	110.8910	0.004	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.7890	0.638	2	111.7890	0.407	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(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]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|O<2>}	111.9070	0.000	1	111.8647	0.116	6	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Cl)(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]N[5a]C){1|Cl<1>,1|C<3>,2|H<1>}	111.8562	0.380	5	111.8647	0.116	6	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,5|C<3>}	111.2870	0.000	1	111.2870	0.000	1	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|Br<1>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]Br)(N[5a]N[5a]C){1|C<3>,1|O<2>,2|H<1>}	111.3095	0.166	2	111.3095	0.028	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|C<3>,3|H<1>}	111.4460	0.079	2	111.5403	0.030	3	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(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]N[5a]C){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	111.7290	0.000	1	111.5403	0.030	3	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C){1|C<3>,3|H<1>}	110.4830	0.485	2	110.4830	0.235	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(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]N[5a]C){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	112.0960	0.000	1	112.0250	0.010	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(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]N[5a]C){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	111.9540	0.000	1	112.0250	0.010	2	111.5338	0.235	75	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	110.0730	0.000	1	110.0730	0.000	1	110.3040	0.107	2	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(CH3){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)(N[6a]C[6a]C){1|H<1>,1|N<3>,2|O<1>}	110.5350	0.000	1	110.5350	0.000	1	110.3040	0.107	2	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C){1|C<3>,1|N<2>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]N[6a])(N[5a]N[5a]C){2|H<1>,3|C<3>}	111.2440	0.000	1	111.2440	0.000	1	111.2440	0.000	1	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]N[5a,6a])(N[5a]C[5a])(CH3){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C){1|C<3>,1|N<3>}	C[5a,6a](N[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C){1|C<4>,1|H<1>,3|C<3>}	109.8950	0.099	2	109.8950	0.010	2	109.8950	0.010	2	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:S-4:	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])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]S){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|N<3>,2|H<1>}	110.9840	0.355	2	110.9840	0.126	2	111.3060	0.374	3	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:S-4:	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])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]S){2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]S){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.9500	0.000	1	111.9500	0.000	1	111.3060	0.374	3	111.3452	1.600	105	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|O<1>,2|C<3>,2|N<3>}	109.7970	0.000	1	109.7970	0.000	1	108.9010	0.536	4	109.1544	0.723	5	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	108.4145	0.572	2	108.6023	0.269	3	108.9010	0.536	4	109.1544	0.723	5	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,2|C<3>,2|N<3>}	108.9780	0.000	1	108.6023	0.269	3	108.9010	0.536	4	109.1544	0.723	5	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]N[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|O<1>,4|C<3>}	110.1680	0.000	1	110.1680	0.000	1	110.1680	0.000	1	109.1544	0.723	5	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	110.3260	0.000	1	110.3260	0.000	1	110.3260	0.000	1	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	110.4950	0.000	1	110.4950	0.000	1	110.0940	0.186	7	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,1|S<2>,2|C<3>}	110.1895	0.250	2	109.8495	0.182	4	110.0940	0.186	7	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	109.5095	0.151	2	109.8495	0.182	4	110.0940	0.186	7	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]N[5a]){1|H<1>,2|N<2>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	110.3490	0.000	1	110.3490	0.000	1	110.0940	0.186	7	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]S[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]){1|N<2>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	110.4160	0.000	1	110.4160	0.000	1	110.0940	0.186	7	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.9170	0.000	1	109.9170	0.000	1	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	109.3265	0.709	2	109.7475	0.165	14	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|I<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.1410	0.417	2	109.7475	0.165	14	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.8600	0.000	1	109.7475	0.165	14	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	110.2670	0.000	1	109.7475	0.165	14	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	109.4730	0.000	1	109.7475	0.165	14	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,1|I<1>,3|C<3>}	109.6898	0.320	4	109.7475	0.165	14	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	109.7237	0.246	3	109.7475	0.165	14	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|I<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]I){2|H<1>,3|C<3>}	109.2030	0.000	1	109.2030	0.000	1	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	109.3360	0.000	1	109.3540	0.001	2	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	109.3720	0.000	1	109.3540	0.001	2	109.6829	0.159	18	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(N[5a]C[6a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	110.0210	0.000	1	110.0210	0.000	1	110.3708	0.044	5	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	110.4980	0.000	1	110.4583	0.008	4	110.3708	0.044	5	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]){1|O<2>,3|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]N[5a]O[6a])(N[5a]C[6a]N[5a]){1|H<1>,5|C<3>}	110.4450	0.103	3	110.4583	0.008	4	110.3708	0.044	5	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:2:	3:3:3:	C[5a,6a]-3:N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]N[5a])(N[5a]N[5a]){1|H<1>,1|N<2>,4|C<3>}	N[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[5a,6a]){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]2){1|N<2>,2|C<3>,2|H<1>}	111.2320	0.752	2	111.2320	0.566	2	111.2320	0.566	2	109.9877	0.321	33	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|H<1>,5|C<3>}	111.1740	0.000	1	110.8455	0.216	2	110.5990	0.161	4	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){6|C<3>}	110.5170	0.000	1	110.8455	0.216	2	110.5990	0.161	4	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	110.4590	0.000	1	110.4590	0.000	1	110.5990	0.161	4	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){1|N<2>,5|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	110.2460	0.000	1	110.2460	0.000	1	110.5990	0.161	4	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	110.8180	0.000	1	110.6685	0.045	2	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<2>,2|C<4>,3|C<3>}	110.5190	0.000	1	110.6685	0.045	2	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	110.5940	0.000	1	110.5940	0.000	1	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){1|C<4>,5|C<3>}	110.4996	0.050	5	110.5152	0.003	6	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5,6a]){2|C<4>,4|C<3>}	110.5930	0.000	1	110.5152	0.003	6	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.7390	0.000	1	110.5773	0.048	11	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|H<1>,4|C<3>}	110.3970	0.000	1	110.5773	0.048	11	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[5a,6a]){1|C<4>,1|N<3>,4|C<3>}	110.5793	0.230	9	110.5773	0.048	11	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,1|H<1>,4|C<3>}	110.0900	0.000	1	110.1672	0.207	29	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|C<4>,5|C<3>}	110.1471	0.292	11	110.1672	0.207	29	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|H<1>,2|C<4>,3|C<3>}	110.4971	0.702	7	110.1672	0.207	29	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){1|O<2>,2|C<4>,3|C<3>}	109.6885	0.005	2	110.1672	0.207	29	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6,6a]){2|C<4>,4|C<3>}	110.0356	0.293	8	110.1672	0.207	29	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,1|H<1>,4|C<3>}	110.9180	0.000	1	110.3653	0.230	3	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){1|C<4>,5|C<3>}	110.0890	0.041	2	110.3653	0.230	3	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.4260	0.000	1	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.0910	0.000	1	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	110.3062	0.180	5	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,4|C<3>}	111.0695	0.235	2	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,2|H<1>,3|C<3>}	109.9260	0.000	1	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	110.2944	0.332	5	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|Cl<1>,1|C<4>,4|C<3>}	110.1226	0.545	7	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	109.8383	0.128	3	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){3|C<3>,3|C<4>}	109.5950	0.871	2	110.1907	0.235	27	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|N<3>,3|C<3>}	110.2660	0.054	2	110.2660	0.003	2	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	110.0980	0.000	1	109.8885	0.088	2	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){2|C<4>,4|C<3>}	109.6790	0.000	1	109.8885	0.088	2	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	110.4865	0.262	2	110.3535	0.190	4	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,5|C<3>}	110.2205	0.657	2	110.3535	0.190	4	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a,6a]){2|H<1>,4|C<3>}	110.3628	0.174	6	110.3628	0.030	6	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.2580	0.000	1	110.2852	0.049	4	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	110.0490	0.000	1	110.2852	0.049	4	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.4170	0.238	2	110.2852	0.049	4	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	110.2160	0.000	1	110.5140	0.178	2	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]S){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|N<3>}	110.8120	0.000	1	110.5140	0.178	2	110.2882	0.172	99	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a,6a]){1|C<4>,1|O<1>,4|C<3>}	109.1780	0.000	1	109.1780	0.000	1	109.2545	0.244	6	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	109.0667	0.361	4	109.2698	0.304	5	109.2545	0.244	6	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:O[6a]-2:	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]O[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<4>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O[6a]C[6a]){1|O<1>,2|C<4>,3|C<3>}	110.0820	0.000	1	109.2698	0.304	5	109.2545	0.244	6	110.2427	0.232	109	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	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])(C[5]C[5,6]C[5])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6]C[5])(N[5a]C[5a]){2|C<3>,3|H<1>,4|C<4>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	110.7460	0.000	1	110.7460	0.000	1	110.7460	0.000	1	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	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])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	111.2320	0.000	1	111.2320	0.000	1	111.2473	0.001	3	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	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])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	111.2840	0.000	1	111.2550	0.002	2	111.2473	0.001	3	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5a]-3:N[5a]-2:	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])(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a,6a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	111.2260	0.000	1	111.2550	0.002	2	111.2473	0.001	3	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C[6a]){6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[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)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){3|H<1>,5|C<3>}	110.7910	0.000	1	110.7910	0.000	1	110.7910	0.000	1	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	111.3740	0.000	1	111.3740	0.000	1	111.2351	0.055	12	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]O){1|C<2>,4|C<3>}	111.5310	0.000	1	111.5310	0.000	1	111.2351	0.055	12	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	111.0115	0.320	2	111.0115	0.103	2	111.2351	0.055	12	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|C<4>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	110.9400	0.000	1	111.3093	0.122	3	111.2351	0.055	12	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|N<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]F){1|N<2>,2|F<1>,3|C<3>}	111.4940	0.199	2	111.3093	0.122	3	111.2351	0.055	12	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	111.2250	0.000	1	111.2250	0.000	1	111.2351	0.055	12	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	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])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	111.1850	0.090	4	111.1850	0.008	4	111.2351	0.055	12	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|C<4>,1|O<1>,4|C<3>}	110.2180	0.000	1	110.2180	0.000	1	109.8110	0.131	3	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(N[5a]C[6a]N[5a])(N[6a]C[6a]C){1|C<4>,1|O<1>,4|C<3>}	109.5270	0.000	1	109.5270	0.000	1	109.8110	0.131	3	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-3:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]N){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])(N[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	109.6880	0.000	1	109.6880	0.000	1	109.8110	0.131	3	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a,6a]-3:C[5a,6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H)	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]H){4|C<3>}	C[5a,6a](C[6a,6a]C[6a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(N[5a]C[6a]N[5a]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	110.9953	0.314	22	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:2:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	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>}	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>}	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>}	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.9050	0.000	1	109.9050	0.000	1	109.8837	0.019	3	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(CC[5a]C[6a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a]){2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]C){1|C<3>,2|H<1>}	109.8730	0.195	2	109.8730	0.038	2	109.8837	0.019	3	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]H)(N[5a]N[5a]){1|C<4>,1|F<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	109.6610	0.000	1	109.6610	0.000	1	109.7940	0.065	6	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5,6a]C[5]N)(N[5a]N[5a]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	109.9890	0.000	1	109.9890	0.000	1	109.7940	0.065	6	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]2O[5])(N[5a]N[5a]){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	109.3770	0.000	1	109.3770	0.000	1	109.7940	0.065	6	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.9645	0.194	2	109.9645	0.038	2	109.7940	0.065	6	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a])	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a])	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]N[5a]){1|N<3>,2|C<4>,2|H<1>,2|N<2>}	N[5a](N[5a]C[5a,6a]C[5])(N[5a]C[5a,6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.8080	0.000	1	109.8080	0.000	1	109.7940	0.065	6	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	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>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,3|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>}	109.7470	0.000	1	109.8745	0.033	2	110.0716	0.060	5	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	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>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|C<4>,1|H<1>,3|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>}	110.0020	0.000	1	109.8745	0.033	2	110.0716	0.060	5	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	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>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,3|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>}	109.9760	0.000	1	109.9760	0.000	1	110.0716	0.060	5	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	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>}	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a]){1|H<1>,1|O<2>,3|C<3>}	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>}	110.2820	0.000	1	110.3165	0.002	2	110.0716	0.060	5	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:2:	3:3:3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a,6a]C[6])(N[5a]C[5a,6a])	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>}	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>}	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>}	110.3510	0.000	1	110.3165	0.002	2	110.0716	0.060	5	109.9124	0.063	14	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	111.4700	0.000	1	111.2487	0.054	3	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	111.0070	0.000	1	111.2487	0.054	3	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]Br){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|Br<1>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	111.2690	0.000	1	111.2487	0.054	3	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<2>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	111.3780	0.000	1	111.1095	0.144	2	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	110.8410	0.000	1	111.1095	0.144	2	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a,6a]C[5a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	111.0160	0.000	1	111.0160	0.000	1	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	111.0690	0.000	1	111.0683	0.012	4	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	111.0915	0.179	2	111.0683	0.012	4	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	111.0210	0.000	1	111.0683	0.012	4	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]N[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	110.5875	0.036	2	110.5875	0.001	2	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:2:	C[5a,6a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]I){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(N[6a]C[6a]){1|C<4>,1|I<1>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	111.1910	0.000	1	111.1910	0.000	1	111.0477	0.072	13	111.0477	0.072	13	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	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])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	111.4040	0.000	1	111.6185	0.092	2	111.6185	0.092	2	111.6185	0.092	2	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:4:2:	3:3:	3:3:3:	C[5a,6a]-3:C[5]-4:N[5a]-2:	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])(C[5]C[5]O[5]H)(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]O[5]H)(N[5a]C[5a]){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]N[5a]C[5])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	111.8330	0.000	1	111.6185	0.092	2	111.6185	0.092	2	111.6185	0.092	2	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	4:3:2:	3:3:	3:3:2:	C[5,6]-4:C[5a,6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a,6a]-3:N[5a]-3:N[6a]-2:	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a])	N[5a](C[5,6]C[5,5,6]O[5,6]H)(C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a,6a]C[5,6])(C[5a]C[5a,6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a]C[5,6]N[5a])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	110.2500	0.250	2	110.2500	0.063	2	110.2500	0.063	2	110.2500	0.063	2	110.6836	1.011	687	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(H)	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	109.2050	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NN)	107.5592	1.492	17	107.5592	2.226	17	107.5592	2.226	17	107.7532	2.321	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Se-2:	N[5a](C[5a]N[5a]Se)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(SeC)	N[5a](C[5a]N[5a]Se)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|Se<2>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(SeC)	109.1870	0.000	1	109.1870	0.000	1	109.1870	0.000	1	107.7532	2.321	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	109.6160	0.000	1	109.6160	0.000	1	109.6160	0.000	1	107.7532	2.321	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCH)	108.6370	0.000	1	108.6370	0.000	1	108.9299	0.181	10	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCN)	109.3457	0.472	3	109.3457	0.223	3	108.9299	0.181	10	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]N)	108.6238	0.133	4	108.6238	0.018	4	108.9299	0.181	10	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]C)	109.3000	0.000	1	109.3000	0.000	1	108.9299	0.181	10	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CNN)	108.8300	0.000	1	108.8300	0.000	1	108.9299	0.181	10	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|C<3>,1|N<3>,2|H<1>}	109.0364	0.447	5	109.2026	0.281	7	109.2026	0.281	7	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|C<3>,2|H<1>}	109.6180	0.635	2	109.2026	0.281	7	109.2026	0.281	7	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NCN)	107.9230	0.000	1	107.9230	0.000	1	107.8244	0.705	18	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5]H)	108.1070	0.000	1	108.1070	0.000	1	107.8244	0.705	18	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[5a]H)	108.0016	0.445	7	108.0016	0.198	7	107.8244	0.705	18	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[6a]H)	105.9145	1.487	2	105.9145	2.211	2	107.8244	0.705	18	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHH)	108.1970	0.351	2	108.1970	0.123	2	107.8244	0.705	18	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	108.1152	0.198	5	108.1152	0.039	5	107.8244	0.705	18	108.4159	0.840	35	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC3)	109.2300	0.000	1	109.2300	0.000	1	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHH)	109.5152	0.357	5	109.5152	0.128	5	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHO)	109.5660	0.000	1	109.5660	0.000	1	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CCHS)	109.6686	0.266	5	109.6686	0.071	5	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[5a]CC)	109.0980	0.066	2	109.0980	0.004	2	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	108.6333	1.280	6	108.6333	1.638	6	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CH3)	109.1555	0.306	2	109.1555	0.094	2	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHN)	107.3680	1.829	5	107.3680	3.345	5	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHO)	108.7620	0.240	3	108.7620	0.058	3	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CHHS)	108.8380	0.000	1	108.8380	0.000	1	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5]HH)	108.7620	0.546	2	108.7620	0.298	2	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[5a]HH)	108.6273	0.257	3	108.6273	0.066	3	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(CN[6]HH)	107.6517	2.297	3	107.6517	5.275	3	108.7525	1.460	39	108.7525	1.460	39	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(H){1|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(H)	111.3570	0.000	1	111.3570	0.000	1	111.3570	0.000	1	111.4788	0.153	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H){1|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|O<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O){2|C<3>}	111.6603	0.442	3	111.6603	0.196	3	111.5032	0.186	5	111.4788	0.153	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a]N)(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H){1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a]N)(O)	111.5580	0.000	1	111.5580	0.000	1	111.5032	0.186	5	111.4788	0.153	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)2(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(H){1|H<1>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<1>}	C[5a](N[5a]N[5a]H)2(O)	110.9770	0.000	1	110.9770	0.000	1	111.5032	0.186	5	111.4788	0.153	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	108.1393	0.797	4	108.1393	0.635	4	108.1393	0.635	4	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(H){1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a]H)(NN)	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	108.5540	0.000	1	108.0593	0.914	10	108.0593	0.914	10	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	108.2110	0.000	1	108.0593	0.914	10	108.0593	0.914	10	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	108.5210	0.000	1	108.0593	0.914	10	108.0593	0.914	10	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|O<2>}	107.8310	0.240	2	108.0593	0.914	10	108.0593	0.914	10	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>}	105.6400	0.000	1	108.0593	0.914	10	108.0593	0.914	10	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|O<2>,2|N<2>}	108.2417	0.262	3	108.0593	0.914	10	108.0593	0.914	10	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	109.2800	0.000	1	108.0593	0.914	10	108.0593	0.914	10	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(H){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	107.9520	0.000	1	107.9520	0.000	1	107.9520	0.000	1	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	109.5105	0.175	2	109.5105	0.031	2	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<2>,1|H<1>,2|C<3>}	109.5860	0.000	1	109.1919	0.166	34	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	108.5920	0.000	1	109.1919	0.166	34	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	109.6870	0.352	3	109.1919	0.166	34	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,3|C<3>}	109.0954	0.391	5	109.1919	0.166	34	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	109.1586	0.379	24	109.1919	0.166	34	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>}	108.3233	0.191	4	108.3489	0.095	7	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|C<3>}	108.6255	0.319	2	108.3489	0.095	7	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<2>,2|N<3>}	107.8980	0.000	1	108.3489	0.095	7	109.0694	0.253	43	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]2)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(N[5a]N[5a])(H){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>}	107.4420	0.000	1	107.4420	0.000	1	107.4420	0.000	1	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<3>,1|O<2>}	108.8183	0.343	3	108.5708	0.124	6	108.5708	0.124	6	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(O){1|C<3>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	108.3233	0.096	3	108.5708	0.124	6	108.5708	0.124	6	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<2>}	108.4605	0.308	4	108.5863	0.076	10	108.6204	0.356	52	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	108.5367	0.279	3	108.5863	0.076	10	108.6204	0.356	52	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	108.8037	0.122	3	108.5863	0.076	10	108.6204	0.356	52	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	108.6213	0.640	28	108.7327	0.367	37	108.6204	0.356	52	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	109.1464	0.243	8	108.7327	0.367	37	108.6204	0.356	52	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){2|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	108.5430	0.000	1	108.7327	0.367	37	108.6204	0.356	52	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(O){1|N<2>,1|O<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]O[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>}	107.8574	0.463	5	107.8574	0.215	5	108.6204	0.356	52	108.7285	0.534	118	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(H){1|O<2>,2|C<2>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,1|C<3>}	C[5a](C[5]C[5]O[5])(C[5a]N[5a]C)(N[5a]N[5a]H){2|C<3>}	112.3430	0.000	1	112.3430	0.000	1	112.3430	0.000	1	112.1112	0.202	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]O[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	111.8500	0.000	1	111.8500	0.000	1	112.0300	0.065	2	112.1112	0.202	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(H){1|C<2>,1|C<3>,1|S<2>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]C)(N[5a]N[5a]H){1|H<1>,2|C<3>}	112.2100	0.000	1	112.2100	0.000	1	112.0300	0.065	2	112.1112	0.202	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(H){1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,1|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,2|H<1>}	112.6570	0.000	1	112.6570	0.000	1	112.6570	0.000	1	112.1112	0.202	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(H){1|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]H)(COO)	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	112.1112	0.202	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:Si-4:	N[5a](C[5a]C[5a]Si)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]C[5a])	C[5a](C[5a]N[5a]Si)(N[5a]N[5a]H)(SiC3)	N[5a](C[5a]C[5a]Si)(N[5a]N[5a])(H){1|Si<4>}	N[5a](N[5a]C[5a]H)(N[5a]C[5a]){2|Si<4>}	C[5a](C[5a]N[5a]Si)(N[5a]N[5a]H)(SiC3)	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	112.4680	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5,6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]C[5,6]N[5a])(N[5a]N[5a])(H){1|O<2>,2|C<4>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](C[5,6]C[5,5,6]C[5,6]O)(N[5a]N[5a]H)(N[5a]N[5a]){2|H<1>,4|C<4>}	111.1310	0.158	2	111.1310	0.025	2	111.1310	0.025	2	109.9437	1.892	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](C[5]C[5,6a]C[5]N)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	108.6760	0.000	1	108.6760	0.000	1	108.7565	0.013	2	109.9437	1.892	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(H){1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|C<4>}	C[5a](C[5]C[5,6a]C[5]O)(N[5a]N[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>}	108.8370	0.000	1	108.8370	0.000	1	108.7565	0.013	2	109.9437	1.892	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a])(H){1|Cl<1>}	N[5a](C[5a]N[5a]Cl)(N[5a]C[5a]H){1|Cl<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(Cl){1|Cl<1>}	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.1790	0.092	2	110.0882	0.029	5	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,2|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.0277	0.202	3	110.0882	0.029	5	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	109.8570	0.014	2	109.8570	0.000	2	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]2)(N[5a]C[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	109.8300	0.000	1	109.8300	0.000	1	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.3338	0.481	9	110.3338	0.231	9	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.5630	0.573	2	110.6218	2.444	4	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|H<1>,2|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|C<3>}	110.6805	2.644	2	110.6218	2.444	4	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|H<1>}	109.7097	1.435	3	109.7097	2.060	3	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<2>}	106.3230	5.479	2	109.4813	7.267	11	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|N<3>}	110.1831	1.511	9	109.4813	7.267	11	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(H){1|S<2>}	110.5265	0.333	4	110.5265	0.111	4	110.0258	2.457	39	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]H){1|O<1>,2|C<3>}	C[5a](N[5a]N[5a]H)(O[5a]C[5a])(O){1|C<3>}	111.3780	0.000	1	111.3780	0.000	1	111.3780	0.000	1	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H){1|O<1>}	C[5a](N[5a]N[5a]H)(S[5a]C[5a])(O){1|N<2>}	118.9220	0.000	1	118.9553	0.034	4	119.2063	0.330	7	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]S[5a]N)(N[5a]C[5a]H){1|O<1>}	C[5a](N[5a]N[5a]H)(S[5a]C[5a])(O){1|N<3>}	118.9663	0.223	3	118.9553	0.034	4	119.2063	0.330	7	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]S[5a]O)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(H){1|O<2>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a]H){1|O<1>}	C[5a](N[5a]N[5a]H)(S[5a]C[5a])(O){1|O<2>}	119.5410	0.804	3	119.5410	0.646	3	119.2063	0.330	7	111.3264	13.109	48	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	109.0855	0.063	2	109.8580	0.573	5	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){3|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	110.3730	0.387	3	109.8580	0.573	5	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<4>}	110.0877	0.594	12	110.0877	0.353	12	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){1|C<3>,2|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|C<3>}	110.3490	0.000	1	110.3490	0.000	1	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	110.6150	0.000	1	110.6150	0.000	1	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NN){1|H<1>}	109.5680	0.000	1	109.5680	0.000	1	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC){1|N<2>}	109.3350	0.000	1	109.3350	0.000	1	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[5a]){1|N<2>}	110.5570	0.000	1	110.5570	0.000	1	110.0349	0.371	22	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|S<2>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(SS){1|C<3>}	110.1293	0.514	3	110.1293	0.264	3	110.1293	0.264	3	110.0462	0.347	25	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN){1|C<3>}	110.5550	0.000	1	110.5550	0.000	1	110.4500	0.362	4	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN){1|C<3>}	109.5990	0.000	1	110.1150	0.533	2	110.4500	0.362	4	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CNN){1|C<4>}	110.6310	0.000	1	110.1150	0.533	2	110.4500	0.362	4	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCN){1|H<1>}	111.0150	0.000	1	111.0150	0.000	1	110.4500	0.362	4	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C[5]-3:	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<3>}	109.7770	0.000	1	109.7770	0.000	1	109.7770	0.000	1	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C[6]-3:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	110.0435	0.118	2	110.0435	0.014	2	110.0435	0.014	2	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<3>}	109.5902	0.460	5	109.5902	0.212	5	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|C<3>}	109.1650	0.100	2	109.1650	0.010	2	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H){1|C<3>}	109.9450	0.000	1	109.9450	0.000	1	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	109.9920	0.000	1	109.5690	0.358	2	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	109.1460	0.000	1	109.5690	0.358	2	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<4>}	109.1990	0.537	2	109.1990	0.289	2	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	110.1690	0.000	1	109.9678	0.074	5	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<4>}	109.9175	0.285	4	109.9678	0.074	5	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHN){1|C<4>}	109.6010	0.000	1	109.6010	0.000	1	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[5])(N[5a]C[5a]H){3|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	110.2815	0.049	2	110.2815	0.002	2	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|C<3>}	110.0990	0.000	1	110.0990	0.000	1	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|H<1>}	110.2440	0.000	1	110.2440	0.000	1	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|H<1>}	111.9760	0.000	1	111.9760	0.000	1	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|N<3>}	109.9865	0.302	2	109.9865	0.091	2	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<2>}	109.4710	0.000	1	109.4710	0.000	1	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|N<3>}	110.2707	1.203	4	110.2707	1.447	4	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCH){1|S<2>}	109.8590	0.000	1	109.8590	0.000	1	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NHH){1|S<2>}	110.3863	0.253	3	110.3863	0.064	3	109.9303	0.467	34	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(N[5a]C[5a])(H){1|C<3>,2|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	109.9607	0.448	42	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,2|N<2>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	110.5160	0.000	1	110.5160	0.000	1	110.7871	0.140	9	110.7871	0.140	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	111.0040	0.245	2	111.0040	0.060	2	110.7871	0.140	9	110.7871	0.140	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<3>}	110.6410	0.322	2	110.6410	0.104	2	110.7871	0.140	9	110.7871	0.140	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|C<4>}	110.2260	0.000	1	110.2260	0.000	1	110.7871	0.140	9	110.7871	0.140	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|N<3>}	110.9865	0.513	2	110.9865	0.263	2	110.7871	0.140	9	110.7871	0.140	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<4>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(CH3){1|S<2>}	111.0790	0.000	1	111.0790	0.000	1	110.7871	0.140	9	110.7871	0.140	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(H){1|C<3>,1|N<3>,2|H<1>}	114.5160	0.000	1	114.5160	0.000	1	114.5160	0.000	1	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H){2|C<4>,2|H<1>}	111.9581	1.305	14	111.9581	1.702	14	112.1253	2.000	15	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(H){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(H){1|O<1>,2|N<3>}	114.4650	0.000	1	114.4650	0.000	1	112.1253	2.000	15	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	113.5220	0.000	1	113.5390	0.025	3	113.5390	0.025	3	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	113.5475	0.221	2	113.5390	0.025	3	113.5390	0.025	3	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	112.7550	0.249	3	112.7550	0.062	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<3>}	113.5310	0.165	3	113.5310	0.027	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<4>}	112.5562	0.249	6	112.5562	0.062	6	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	112.6840	0.099	2	112.4562	0.072	4	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<4>}	112.2285	0.005	2	112.4562	0.072	4	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<3>}	113.2567	0.423	3	113.5048	0.366	4	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|C<4>}	114.2490	0.000	1	113.5048	0.366	4	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	113.2038	0.278	5	113.2309	0.090	9	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	113.2648	0.366	4	113.2309	0.090	9	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|C<3>,1|N<2>,1|S<2>}	113.0360	0.000	1	113.0360	0.000	1	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>}	110.4947	0.303	4	111.2760	1.523	6	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|C<3>}	112.8385	0.131	2	111.2760	1.523	6	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){3|C<3>}	113.1390	0.000	1	113.1390	0.000	1	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|C<3>}	111.8296	0.902	26	111.8296	0.814	26	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Cl<1>,1|N<2>}	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|Cl<1>}	113.4110	0.000	1	113.4110	0.000	1	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|H<1>,1|N<2>,1|N<3>}	112.7900	0.000	1	110.4664	2.413	5	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	109.8855	0.984	4	110.4664	2.413	5	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(H){1|H<1>}	113.0060	0.000	1	113.0060	0.000	1	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	111.7995	0.561	4	111.8465	0.210	6	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|H<1>}	111.9405	0.285	2	111.8465	0.210	6	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|C<2>,1|C<3>,1|H<1>}	108.8820	0.000	1	111.0480	3.532	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	112.1310	0.165	2	111.0480	3.532	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(H){1|H<1>,2|C<3>}	112.1655	1.135	6	112.1655	1.288	6	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|H<1>}	110.9847	1.906	10	110.9847	3.631	10	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a]H)(H){1|H<1>}	112.2930	0.000	1	112.2930	0.000	1	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|S<6>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|S<6>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(H){1|H<1>}	112.3553	0.143	3	112.3553	0.020	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	113.5475	0.037	2	113.5475	0.001	2	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|N<3>}	112.9980	0.000	1	112.2027	0.485	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(H){1|N<3>}	111.8050	0.146	2	112.2027	0.485	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(H){1|N<3>,2|C<3>}	113.2340	0.000	1	113.2340	0.000	1	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<2>}	110.4860	0.000	1	110.6336	3.052	5	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<3>}	110.6705	2.015	4	110.6336	3.052	5	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(H){1|N<3>}	113.4373	0.137	3	113.4373	0.019	3	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(H){1|N<3>}	112.7705	0.087	2	112.7705	0.008	2	112.0839	1.684	115	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<3>}	112.9608	0.522	4	112.9608	0.273	4	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O){1|C<3>}	113.0245	0.125	2	113.0245	0.016	2	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|C<4>}	112.7589	0.361	16	112.7589	0.131	16	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	113.1020	0.377	6	113.1020	0.142	6	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<3>}	112.8897	0.073	3	112.4393	0.815	4	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O){1|C<4>}	111.0880	0.000	1	112.4393	0.815	4	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O){1|C<4>}	113.7890	0.210	6	113.2955	0.365	11	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O){1|C<4>}	112.7032	0.233	5	113.2955	0.365	11	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(O){1|C<4>,2|C<3>}	113.4685	0.108	2	113.4685	0.012	2	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]O)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|O<1>,1|O<2>}	C[5a](N[5a]C[5a]O)(N[5a]N[5a]H)(O){1|C<4>}	112.8670	0.000	1	112.8670	0.000	1	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]H){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]H)(O){1|H<1>}	112.7893	0.833	3	112.7893	0.694	3	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]H)(O){1|N<3>}	113.7360	0.000	1	113.7360	0.000	1	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|H<1>,1|O<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a]H)(O){1|N<3>}	112.8324	0.185	8	112.8324	0.034	8	112.9521	0.275	58	112.3848	1.436	192	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:N-2:	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,3|N<2>}	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NN){1|C<3>,1|N<3>}	113.7000	0.000	1	113.7000	0.000	1	113.7000	0.000	1	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:N-2:	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H)	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN)	N[5a](C[5a]N[5a,6]N)(N[5a]C[5a,6])(H){2|N<2>}	N[5a](C[5a,6]N[5a,6]N[6])(N[5a]C[5a]H){3|N<2>}	C[5a](N[5a,6]C[5a,6]N[6])(N[5a]N[5a]H)(NN){1|C<3>,1|N<2>}	114.3270	0.137	2	114.3270	0.019	2	114.3270	0.019	2	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5])	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NC[5]){1|H<1>}	111.1110	1.838	2	111.1110	3.380	2	111.1110	3.380	2	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,3|C<3>}	109.8380	0.000	1	109.8380	0.000	1	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]H){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.8120	0.000	1	109.8120	0.000	1	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	110.9090	0.000	1	110.9090	0.000	1	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,2|N<3>}	110.6445	0.173	2	110.5020	0.176	5	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,3|N<3>}	111.0190	0.000	1	110.5020	0.176	5	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,3|N<3>}	110.2480	0.000	1	110.5020	0.176	5	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	109.9540	0.000	1	110.5020	0.176	5	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	110.3450	0.100	3	110.0714	0.169	5	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,2|N<3>}	109.6610	0.310	2	110.0714	0.169	5	110.2635	0.221	13	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){1|N<3>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	109.7720	0.000	1	109.7720	0.000	1	109.7720	0.000	1	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<3>,2|N<2>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.4230	0.000	1	110.4230	0.000	1	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.7938	0.226	4	110.3302	1.075	6	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	108.2530	0.000	1	110.3302	1.075	6	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.5530	0.000	1	110.3302	1.075	6	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	109.9410	0.000	1	110.1942	0.055	4	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.3885	0.078	2	110.1942	0.055	4	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<2>,2|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	110.0590	0.000	1	110.1942	0.055	4	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	111.3100	0.000	1	110.8800	0.180	3	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	N[5a](C[5a]N[5a]C[6])(N[5a]C[5a]H){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.6650	0.288	2	110.8800	0.180	3	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|N<3>,2|C<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	110.5240	0.000	1	110.5240	0.000	1	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|O<2>,2|C<3>}	N[5a](C[5a]N[5a]O)(N[5a]C[5a]H){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	110.5850	0.071	2	110.5850	0.005	2	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|S<2>,2|C<3>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]H){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]H)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	110.4620	0.380	2	110.4620	0.145	2	110.4442	0.389	19	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]H){1|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	108.1245	0.050	2	108.1245	0.003	2	108.1245	0.003	2	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(O){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]O){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	109.9980	0.396	5	109.9980	0.157	5	109.9980	0.157	5	110.4989	1.541	45	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(COO){1|C<4>,2|C<3>}	112.9810	0.000	1	112.9810	0.000	1	112.9810	0.000	1	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:N-3:	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NHH)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NHH){1|C<3>,1|N<3>}	112.8550	0.000	1	113.6675	0.379	6	113.6675	0.379	6	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	N[5,5a]-3:N[5a]-3:N-3:	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H)	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NHH)	N[5a](C[5a]N[5,5a]N)(N[5a]C[5,5a])(H){1|N<2>,1|N<3>}	N[5a](C[5,5a]N[5,5a]N[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	C[5a](N[5,5a]C[5,5a]N[5])(N[5a]N[5a]H)(NHH){1|C<3>,1|N<3>}	113.8300	0.525	5	113.6675	0.379	6	113.6675	0.379	6	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|N<3>,3|C<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]N[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	115.0370	0.000	1	115.0370	0.000	1	114.4135	0.778	2	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(H){1|C<4>,1|N<3>,2|C<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,3|H<1>,4|C<3>}	113.7900	0.000	1	113.7900	0.000	1	114.4135	0.778	2	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]2)(N[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(COO){1|C<3>,1|C<4>,2|H<1>}	111.7910	0.000	1	111.7910	0.000	1	111.7910	0.000	1	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]H){1|O<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]N[5a]H)(COO){2|C<3>}	114.3240	0.000	1	114.3240	0.000	1	114.3240	0.000	1	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:N[5a]-3:N-3:	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H)	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]H)(NHH)	N[5a](C[5a]N[5a,6a]N)(N[5a]C[5a,6a])(H){2|N<2>}	N[5a](C[5a,6a]N[5a,6a]N[6a])(N[5a]C[5a]H){1|N<3>,2|N<2>}	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]N[5a]H)(NHH){1|C<3>,1|N<2>}	112.8220	0.338	2	112.8220	0.114	2	112.8220	0.114	2	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]N[5a]H){1|H<1>,1|N<2>,2|C<3>}	113.8940	0.000	1	113.8940	0.000	1	112.8651	0.495	7	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	112.4070	0.000	1	112.4070	0.000	1	112.8651	0.495	7	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	112.6750	0.000	1	112.6750	0.000	1	112.8651	0.495	7	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|N<2>,1|O<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]N)(N[5a]N[5a]H){1|C<3>,1|N<2>,1|N<3>}	113.0427	0.606	3	113.0427	0.367	3	112.8651	0.495	7	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(H){1|H<1>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	111.9520	0.000	1	111.9520	0.000	1	112.8651	0.495	7	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	112.2210	1.037	3	112.2210	1.075	3	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	112.8850	0.000	1	112.8850	0.000	1	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	113.5010	0.000	1	113.5010	0.000	1	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|C<4>,2|C<3>,2|H<1>}	112.7660	0.000	1	113.4552	0.214	12	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,2|C<3>,2|C<4>}	114.3650	0.000	1	113.4552	0.214	12	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	113.4331	0.340	10	113.4552	0.214	12	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	113.5580	0.000	1	113.5580	0.000	1	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	111.0345	1.800	2	111.0345	3.239	2	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,5|C<3>}	113.4220	0.000	1	113.4220	0.000	1	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	111.7160	0.000	1	112.4264	0.912	21	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|O<2>,3|C<3>}	112.5875	0.336	2	112.4264	0.912	21	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	112.9330	0.000	1	112.4264	0.912	21	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	112.4195	1.040	17	112.4264	0.912	21	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]H){1|H<1>,1|N<3>,3|C<3>}	113.5630	0.000	1	113.5630	0.000	1	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|O<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	112.8260	0.471	3	112.8260	0.221	3	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|Se<2>,3|C<3>}	C[5a](C[5a]C[5a]Se)(C[6a]C[6a]2)(N[5a]N[5a]H){2|H<1>,3|C<3>}	112.8410	0.000	1	112.8410	0.000	1	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]H){4|C<3>,4|H<1>}	112.8227	0.243	7	112.8227	0.059	7	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	113.6330	0.000	1	111.5700	1.336	5	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){2|C<3>,3|H<1>}	111.0542	0.091	4	111.5700	1.336	5	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<2>,2|C<3>,2|H<1>}	113.5050	0.000	1	112.7675	0.200	10	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	112.6856	0.387	9	112.7675	0.200	10	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]H){1|N<3>,2|C<3>,2|H<1>}	112.7000	0.000	1	112.7000	0.000	1	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]H){1|O<2>,2|C<3>,2|H<1>}	111.5787	1.249	3	111.5787	1.561	3	112.6317	0.895	73	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCO){1|C<3>}	112.7410	0.000	1	112.7410	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(COO){1|C<4>}	112.5470	0.226	2	112.5470	0.051	2	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CHN){3|C<3>}	112.4030	0.000	1	112.4030	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH){1|C<3>}	112.1720	0.000	1	112.1720	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCO){1|C<4>}	113.5470	0.000	1	113.5470	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC[6a]O){1|C<4>}	112.9250	0.392	2	112.9250	0.153	2	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO){1|C<3>}	112.9613	0.861	3	113.3733	0.715	7	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO){1|C<4>}	113.6823	0.800	4	113.3733	0.715	7	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|C<3>}	112.9361	0.382	38	112.9286	0.144	39	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|C<4>}	112.6450	0.000	1	112.9286	0.144	39	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCH){1|C<3>}	112.4130	0.000	1	112.4130	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCH){1|C<3>}	110.6000	0.000	1	110.6000	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|C<3>}	111.7750	0.000	1	111.7750	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CNO){1|N<3>}	111.3700	0.000	1	111.3700	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(COO){1|N<3>}	112.7465	0.015	2	112.7465	0.000	2	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(COO){1|N<3>}	113.8900	0.000	1	113.8900	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]P)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|P<4>}	N[5a](C[5a]C[5a]P)(N[5a]C[5a]H){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CCH){1|P<4>,2|C<3>}	113.5270	0.000	1	113.5270	0.000	1	112.8823	0.386	62	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|N<3>}	112.1390	0.000	1	112.1390	0.000	1	112.5108	0.424	4	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|C<3>,1|N<2>,2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>}	113.4820	0.000	1	113.4820	0.000	1	112.5108	0.424	4	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|O<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(C[5]C[5]2){1|C<3>,2|C<4>,3|H<1>}	112.2110	0.100	2	112.2110	0.010	2	112.5108	0.424	4	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[6]C[6]2){2|C<3>,3|H<1>}	112.0780	0.000	1	112.0780	0.000	1	112.0780	0.000	1	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NHN){1|C<4>}	113.1770	0.000	1	113.1770	0.000	1	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(NCH){1|C<3>}	111.8630	0.000	1	111.8630	0.000	1	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(NHH){1|C<3>}	112.1330	0.000	1	112.1330	0.000	1	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NCH){1|H<1>}	112.0880	0.008	2	112.0880	0.000	2	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(NOO){1|N<3>,2|C<3>}	111.6890	0.517	4	111.6890	0.267	4	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH){1|N<3>}	113.1670	0.000	1	112.8540	0.196	2	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH){1|N<3>}	112.5410	0.000	1	112.8540	0.196	2	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(NOO){1|N<3>}	111.6840	0.000	1	111.6840	0.000	1	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(H){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a]H){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NHH){1|S<2>}	113.1200	0.000	1	113.1200	0.000	1	112.2013	0.426	13	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,3|C<3>}	112.2420	0.000	1	112.2420	0.000	1	112.5143	0.519	20	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	111.8407	1.767	3	112.3232	1.569	6	112.5143	0.519	20	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	112.8057	0.319	3	112.3232	1.569	6	112.5143	0.519	20	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|Se<2>,1|C<3>,1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]Se)(N[5a]N[5a]H){1|C<4>,1|H<1>,2|C<3>}	112.2670	0.000	1	112.2670	0.000	1	112.5143	0.519	20	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|C<4>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]N[5a]H){1|H<1>,3|C<3>}	112.4890	0.000	1	112.4890	0.000	1	112.5143	0.519	20	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	112.9580	0.000	1	112.6682	0.140	11	112.5143	0.519	20	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(H){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]H){1|H<1>,3|C<3>}	112.6392	0.381	10	112.6682	0.140	11	112.5143	0.519	20	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:O-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]O)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]O)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(O){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]O){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]O)(NOO){1|N<3>}	111.4140	0.000	3	111.4140	0.000	3	111.4140	0.000	3	112.7128	0.703	196	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5,5a]C)(N[5a]C[5,5a])(H){1|C<3>,1|C<4>}	N[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]H)(CCHH){2|C<3>,2|H<1>}	114.6810	0.000	1	114.6810	0.000	1	114.6810	0.000	1	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H)	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3)	N[5a](C[5a]C[5,5a]P)(N[5a]C[5,5a])(H){2|C<3>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]H){1|O<1>,1|P<4>,2|C<3>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(N[5a]N[5a]H)(PO3){3|C<3>}	113.1000	0.000	1	113.1000	0.000	1	113.1000	0.000	1	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]H){2|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<3>,1|H<1>,2|C<4>}	113.3105	0.074	2	113.3105	0.006	2	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|N<3>,3|C<3>}	113.5110	0.051	2	113.5110	0.003	2	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	113.1007	0.271	3	113.1007	0.073	3	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CCHH){1|O<2>,3|C<3>}	113.4245	0.121	2	113.4245	0.015	2	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[5,6])(N[5a]N[5a]H)(CH3){1|O<2>,3|C<3>}	113.7365	0.248	4	113.7365	0.062	4	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CCHH){1|H<1>,1|O<2>,2|C<3>}	113.2230	0.000	1	113.2230	0.000	1	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<3>,1|O<2>,2|C<4>}	113.7965	0.009	2	113.5644	0.104	5	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|C<4>,1|O<2>,2|C<3>}	113.8010	0.000	1	113.5644	0.104	5	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H)	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(H){1|C<4>,1|O<2>}	N[5a](C[5a,6]C[5a,6]O[6])(N[5a]C[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]H)(CH3){1|H<1>,1|O<2>,2|C<3>}	113.2140	0.091	2	113.5644	0.104	5	113.4624	0.090	19	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H)	N[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]C[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(H){1|C<3>,1|O<2>}	N[5a](C[5a,6a]C[5a,6a]O[6a])(N[5a]C[5a]H){1|C<4>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]H)(CH3){1|C<3>,1|C<4>,1|O<2>}	114.7205	0.045	2	114.7205	0.002	2	114.7205	0.002	2	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	113.6190	0.000	1	113.6190	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	111.6748	1.098	19	111.6748	1.206	19	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]H)(CH3){1|C<4>}	112.7810	0.000	1	112.7810	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC3){1|C<3>}	113.6172	0.247	4	113.6172	0.061	4	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<4>}	111.8635	1.014	30	111.8635	1.029	30	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	112.2380	0.000	1	112.2380	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	112.7540	0.097	4	112.7540	0.009	4	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Cl<1>,1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]H)(CH3){1|C<4>}	113.1670	0.000	1	113.1670	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|C<4>}	113.3424	0.488	8	113.3424	0.238	8	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHO){1|C<4>}	112.9380	0.000	1	112.9380	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	113.3112	0.398	5	112.6228	5.844	18	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>}	112.3581	2.820	13	112.6228	5.844	18	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CN[5]HH){1|C<4>}	113.0410	0.000	1	113.0410	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC[6]HH){1|C<4>}	114.0570	0.000	1	114.0570	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CH3){1|C<4>}	113.7110	0.154	2	113.7110	0.024	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]H)(CH3){1|C<4>,2|C<3>}	113.2660	0.000	1	113.2660	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<4>}	112.7505	0.992	2	112.7505	0.984	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]Se)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|Se<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|Se<2>,1|C<4>}	C[5a](C[5a]C[5a]Se)(N[5a]N[5a]H)(CH3){1|C<4>}	109.3930	0.000	1	109.3930	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<4>}	112.2633	0.931	3	112.2633	0.867	3	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|C<3>}	112.9560	0.000	1	112.9560	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|C<3>}	113.8370	0.000	1	113.8370	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CCHH){1|C<3>}	113.1010	0.000	1	113.1010	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	112.5690	0.000	1	112.8576	0.099	7	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|C<3>}	112.9057	0.315	6	112.8576	0.099	7	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|S<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H){1|C<4>,1|S<4>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CH3){1|C<3>}	113.7725	0.320	2	113.7725	0.103	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|H<1>}	113.2400	0.000	1	113.2400	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|H<1>}	113.5670	0.000	1	113.5670	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CCHH){1|N<2>,1|N<3>,1|S<2>}	113.2960	0.000	1	113.2960	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<2>}	112.4380	0.354	2	112.4380	0.125	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	113.1188	0.378	4	113.1188	0.143	4	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|C<3>,3|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CH3){1|N<3>}	113.5900	0.288	2	113.5900	0.083	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5])(N[5a]C[5a]H){1|H<1>,1|S<4>,2|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	113.5115	0.142	2	113.5115	0.020	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CC3){1|N<3>}	113.4640	0.093	2	113.4640	0.009	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(CH3){1|N<3>}	113.2900	0.113	2	113.2900	0.013	2	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]H)(CH3){1|C<3>,1|N<3>,1|O<2>}	112.6200	0.000	1	112.6200	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CCHH){1|O<2>}	112.8200	0.000	1	112.8200	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|C<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(CC[6a]HH){1|O<2>}	113.3970	0.000	1	113.3970	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(CC3){1|O<2>}	115.5350	0.000	1	115.5350	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){2|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|O<2>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a]H)(CHHO){1|O<2>}	112.3700	0.000	1	112.3700	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(H){1|O<2>,1|S<4>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]H){1|C<4>,1|S<4>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]H)(CCHH){1|O<2>}	113.8890	0.000	1	113.8890	0.000	1	112.5717	1.810	134	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<3>,1|P<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){3|C<3>}	113.1275	0.334	2	113.1275	0.112	2	113.1460	0.057	3	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]H)(PO3){1|C<4>,2|C<3>}	113.1830	0.000	1	113.1830	0.000	1	113.1460	0.057	3	112.7316	1.688	160	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:3:	4:3:3:	C[5a]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(H){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]H){2|H<1>,3|C<4>}	112.7287	1.242	3	112.7287	1.542	3	112.7287	1.542	3	112.7287	1.542	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	110.0010	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	108.6750	0.000	1	108.6750	0.000	1	108.6750	0.000	1	110.8510	0.460	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	111.0764	0.201	13	111.0764	0.040	13	111.0064	0.106	14	110.8510	0.460	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]O)(N[5a]N[5a])(NN)	110.0970	0.000	1	110.0970	0.000	1	111.0064	0.106	14	110.8510	0.460	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	107.8310	0.000	1	107.8310	0.000	1	108.3393	0.194	3	108.3393	0.194	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	108.5935	0.008	2	108.5935	0.000	2	108.3393	0.194	3	108.3393	0.194	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CClNN)	107.5940	0.000	1	107.5940	0.000	1	109.3437	2.337	3	109.3437	2.337	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	110.2185	0.286	2	110.2185	0.082	2	109.3437	2.337	3	109.3437	2.337	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a])	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.8880	0.000	1	110.8880	0.000	1	110.8880	0.000	1	111.6630	0.355	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	111.7545	0.310	2	111.7545	0.096	2	111.9213	0.132	3	111.6630	0.355	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NN){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	112.2550	0.000	1	112.2550	0.000	1	111.9213	0.132	3	111.6630	0.355	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:N-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NN){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){3|N<2>}	108.6502	0.394	5	108.6502	0.155	5	108.6502	0.155	5	109.4927	0.401	22	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|N<2>,1|N<3>,1|O<2>}	110.0730	0.000	1	110.1165	0.004	2	109.7405	0.200	17	109.4927	0.401	22	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	110.1600	0.000	1	110.1165	0.004	2	109.7405	0.200	17	109.4927	0.401	22	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<1>,2|N<2>}	109.5487	0.245	8	109.6904	0.205	15	109.7405	0.200	17	109.4927	0.401	22	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|O<2>,2|N<2>}	109.8147	0.640	6	109.6904	0.205	15	109.7405	0.200	17	109.4927	0.401	22	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH)	N[5a](N[5a]C[5a]O)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(OH){2|N<2>}	N[5a](N[5a]C[5a]O)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|O<2>}	110.0780	0.000	1	109.6904	0.205	15	109.7405	0.200	17	109.4927	0.401	22	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC)	N[5a](N[5a]C[5a]O)(O[5a]C[5a])	C[5a](C[5a]O[5a]O)(N[5a]N[5a]O)(COO)	N[5a](C[5a]C[5a]C)(N[5a]O[5a])(OC){1|O<1>}	N[5a](N[5a]C[5a]O)(O[5a]C[5a]){1|C<3>,1|O<1>}	C[5a](C[5a]O[5a]O)(N[5a]N[5a]O)(COO)	116.7030	0.000	1	116.7030	0.000	1	116.7030	0.000	1	116.7030	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:O-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC)	N[5a](N[5a]C[5a]O)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]O)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(OC){1|C<3>}	N[5a](N[5a]C[5a]O)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]O)(CH3)	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:2:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:N-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]N){1|H<1>}	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|H<1>}	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	110.3940	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	108.8720	0.000	1	108.8720	0.000	1	109.0390	0.016	4	109.0390	0.016	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(H)	109.0947	0.072	3	109.0947	0.005	3	109.0390	0.016	4	109.0390	0.016	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(N[5a]N[5a])	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){2|N<2>}	N[5a](N[5a]C[5a]C[5])(N[5a]N[5a]){3|N<2>}	C[5a](N[5a]N[5a]C[5])(N[5a]N[5a])(NN){2|N<2>}	108.8280	0.129	2	108.8280	0.017	2	108.8280	0.017	2	108.7037	0.055	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NN)	108.4550	0.000	1	108.4550	0.000	1	108.4550	0.000	1	108.7037	0.055	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCH){2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	108.6178	0.543	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCC)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NCH)	108.7350	0.000	1	108.7350	0.000	1	108.9640	0.096	3	108.6178	0.543	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NCH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	109.3160	0.000	1	109.3160	0.000	1	108.9640	0.096	3	108.6178	0.543	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(NHH)	108.8410	0.000	1	108.8410	0.000	1	108.9640	0.096	3	108.6178	0.543	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]N)(N[5a]N[5a])(CH3)	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	109.9190	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCC){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	109.8810	0.000	1	109.8810	0.000	1	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCF){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	111.8270	0.000	1	111.8270	0.000	1	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]O){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	110.2560	0.000	1	110.2560	0.000	1	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	111.7180	0.000	1	111.7180	0.000	1	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.2187	0.267	3	110.2187	0.071	3	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[6]O){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.5260	0.000	1	110.5260	0.000	1	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.7280	0.000	1	110.7280	0.000	1	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(COO){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	107.1130	0.000	1	107.1130	0.000	1	110.2705	1.674	10	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(COO)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)2(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(COO){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|O<1>}	C[5a](N[5a]N[5a]C)2(O)	110.8814	1.499	8	110.8814	2.246	8	110.8814	2.246	8	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	110.0980	0.000	1	110.3797	0.258	3	110.3797	0.258	3	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[6]C[6]2){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	110.5205	0.630	2	110.3797	0.258	3	110.3797	0.258	3	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(NHH){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]N)(H)	112.8270	0.000	1	112.8270	0.000	1	112.8270	0.000	1	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a]N)(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(NHH){1|H<1>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|H<1>,1|O<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a]N)(O)	111.2330	0.000	1	111.2330	0.000	1	111.2330	0.000	1	110.6502	1.749	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]C){2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	108.4575	0.363	2	108.4575	0.132	2	108.4575	0.132	2	108.5004	2.080	10	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:In-3:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(InCC)	N[5a](N[5a]C[5a]In)(N[5a]N[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(InCC){1|C<3>,1|N<2>}	N[5a](N[5a]C[5a]In)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]In)(N[5a]N[5a]){1|H<1>,2|C<3>}	104.9450	0.000	1	104.9450	0.000	1	104.9450	0.000	1	108.5004	2.080	10	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<3>,2|N<2>}	108.4525	0.233	4	108.5700	0.110	5	108.5700	0.110	5	108.5004	2.080	10	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]N[5a])	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]N[5a])(NHH){2|N<2>}	N[5a](N[5a]C[5a]N)(N[5a]N[5a]){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	109.0400	0.000	1	108.5700	0.110	5	108.5700	0.110	5	108.5004	2.080	10	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:N[6]-3:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2)	N[5a](N[5a]C[5a]N[6])(N[5a]N[5a])	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	N[5a](N[5a]C[5a]N[6])(N[5a]N[5a]){1|C<3>,2|C<4>}	C[5a](N[5a]N[5a]N[6])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	110.1470	0.249	2	110.1470	0.062	2	110.1470	0.062	2	108.5004	2.080	10	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){3|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	110.9470	0.000	1	110.9470	0.000	1	111.0255	0.012	2	110.9968	0.354	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]C){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.1040	0.000	1	111.1040	0.000	1	111.0255	0.012	2	110.9968	0.354	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH){1|N<3>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NHH)	111.6910	0.000	1	111.6910	0.000	1	110.9680	1.045	2	110.9968	0.354	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(NHH){1|N<3>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a]N)(NOO)	110.2450	0.000	1	110.2450	0.000	1	110.9680	1.045	2	110.9968	0.354	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]C){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHH)	110.9990	0.000	1	110.9990	0.000	1	110.9990	0.000	1	112.3131	0.417	24	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	112.4417	0.461	19	112.3702	0.354	23	112.3702	0.354	23	112.3131	0.417	24	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:N-3:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N[5a](N[5a]C[5a]N)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>}	N[5a](N[5a]C[5a]N)(N[5a]C[5a]){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]N)(CH3)	112.0307	1.066	4	112.3702	0.354	23	112.3702	0.354	23	112.3131	0.417	24	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCC){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	108.9271	0.439	17	108.9271	0.192	17	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]C){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	108.8805	0.016	2	108.8805	0.000	2	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]C){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	108.5140	0.000	1	108.5140	0.000	1	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]O){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.2850	0.000	1	109.2850	0.000	1	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.4380	0.000	1	109.4380	0.000	1	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	109.4403	0.010	3	109.4403	0.000	3	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CNO){1|S<4>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<4>}	109.5550	0.000	1	109.5550	0.000	1	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(COO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	108.8170	0.000	1	108.8170	0.000	1	109.0167	0.178	27	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(COO)	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(COO){1|S<2>}	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C){1|O<1>}	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O){1|S<2>}	117.4670	0.000	1	117.4670	0.000	1	117.4670	0.000	1	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|H<1>}	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(H){1|N<3>}	111.2485	0.074	2	111.2485	0.006	2	111.2485	0.006	2	109.4472	2.774	30	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCO){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	109.0250	0.000	1	109.0250	0.000	1	108.9773	0.238	3	109.2349	0.640	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5a]O){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|S<2>}	108.4670	0.000	1	108.4670	0.000	1	108.9773	0.238	3	109.2349	0.640	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|C<4>}	109.4400	0.000	1	109.4400	0.000	1	108.9773	0.238	3	109.2349	0.640	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,3|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|C<3>}	110.0425	0.261	2	110.0425	0.068	2	110.0225	0.170	8	109.2349	0.640	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHH){1|N<3>,2|N<2>}	110.3645	0.118	2	110.3645	0.014	2	110.0225	0.170	8	109.2349	0.640	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(C[5]N[5]2){1|N<3>,2|N<2>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(NHN){1|N<3>,2|N<2>}	109.8415	0.497	4	109.8415	0.247	4	110.0225	0.170	8	109.2349	0.640	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N)	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(NHH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]N){1|N<3>}	C[5a](N[5a]N[5a]N)(N[5a]C[5a])(NOO){1|N<3>}	108.5440	0.352	8	108.5440	0.124	8	108.5440	0.124	8	109.2349	0.640	19	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CNN){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CH3){1|C<4>}	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	109.7760	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	109.4827	0.247	3	109.4827	0.061	3	109.4827	0.061	3	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6]H)(N[5a]C[5a,6])(CC[3]O){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){2|C<4>,3|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){2|C<4>,2|H<1>}	111.8270	0.000	1	111.8270	0.000	1	111.8270	0.000	1	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCC)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCC){1|C<3>,1|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	112.9930	0.000	1	112.9930	0.000	1	112.9930	0.000	1	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCC){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.2640	0.000	1	112.2640	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.4100	0.000	1	111.4100	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	111.0030	0.066	2	111.0030	0.004	2	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.4597	0.312	6	111.4597	0.097	6	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.0450	0.000	1	112.0450	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.7518	0.444	11	111.7518	0.197	11	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	112.5127	0.124	4	112.5127	0.015	4	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCO){1|I<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|N<3>}	112.0720	0.000	1	112.0720	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5]O){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.7117	0.027	3	111.7117	0.001	3	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]O){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.1505	0.254	2	111.1505	0.064	2	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	112.2430	0.000	1	112.2430	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	111.7020	0.000	1	111.7020	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	111.1405	0.634	6	111.1405	0.402	6	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]C){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(H){1|C<3>}	111.6687	0.245	3	111.6687	0.060	3	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	111.6250	0.000	1	111.6250	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	111.6840	0.000	1	111.6840	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.3020	0.000	1	112.3020	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|H<1>}	112.0175	0.112	2	112.0175	0.013	2	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]O){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.7360	0.000	1	111.7360	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CIrH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	111.1310	0.000	1	111.1310	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.9551	0.472	18	111.9551	0.223	18	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNN){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	112.2643	0.302	3	112.2643	0.091	3	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	111.5990	0.000	1	111.5990	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]C){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.2633	0.633	3	112.2633	0.401	3	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CRuC){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	109.9030	0.000	1	109.9030	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CSS){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.2020	0.000	1	111.2020	0.000	1	111.7545	0.318	77	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCO){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O){1|C<4>}	112.5703	0.262	3	112.5703	0.069	3	112.4016	0.125	7	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|N<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O){1|C<4>}	112.8320	0.000	1	112.8320	0.000	1	112.4016	0.125	7	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CNO){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O){1|C<4>}	112.0893	0.156	3	112.0893	0.024	3	112.4016	0.125	7	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6]-3:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6])	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6]){2|H<1>,4|C<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){3|C<3>}	109.6480	0.000	1	109.6480	0.000	1	109.6480	0.000	1	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(C[6]C[6]2){1|O<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.6357	0.435	3	111.6357	0.189	3	111.6357	0.189	3	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[6a]){1|Cl<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(Cl){1|H<1>,1|N<2>,3|C<3>}	113.6030	0.000	1	113.6030	0.000	1	113.6030	0.000	1	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|O<1>,1|O<2>,3|C<3>}	113.2850	0.000	1	113.2850	0.000	1	113.9871	0.795	8	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	113.6803	0.424	4	114.0874	0.833	7	113.9871	0.795	8	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,4|C<3>}	114.6303	1.207	3	114.0874	0.833	7	113.9871	0.795	8	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[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]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	114.0910	0.000	1	114.1920	0.020	2	114.1920	0.020	2	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2)	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]C[5a,6a]O)(N[5a]N[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|O<1>,5|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[6a]N[5a])(O){1|H<1>,4|C<3>}	114.2930	0.000	1	114.1920	0.020	2	114.1920	0.020	2	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NCH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|H<1>}	113.8780	0.000	1	113.8780	0.000	1	114.7710	1.410	5	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NHH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|H<1>}	113.1390	0.000	1	113.1390	0.000	1	114.7710	1.410	5	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]N){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(H){1|C<3>}	115.6405	0.220	2	115.6405	0.048	2	114.7710	1.410	5	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(NOO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]N){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]N)(H){1|C<4>}	115.5570	0.000	1	115.5570	0.000	1	114.7710	1.410	5	112.0869	1.386	109	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(COO){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	112.8429	3.721	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(OMo)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(C[6]C[6]2){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<2>,1|O<2>,2|C<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]C)(OMo){1|C<2>,1|C<3>,1|C<4>}	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	112.8429	3.721	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(NC)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NC){1|H<1>,4|C<3>}	113.0110	0.000	1	113.0110	0.000	1	113.0110	0.000	1	112.8429	3.721	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:Se-2:	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(SeC[6a])	N[5a](C[5a]C[5a,6a]Se)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|Se<2>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(SeC[6a]){1|H<1>,4|C<3>}	113.2930	0.000	1	113.2930	0.000	1	113.2930	0.000	1	112.8429	3.721	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[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]N[5a]N)(CC)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CC){1|H<1>,2|C<3>}	115.2760	0.000	1	115.2760	0.000	1	115.2760	0.000	1	112.8429	3.721	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NN){1|N<3>}	114.1303	0.207	3	114.1303	0.043	3	114.1303	0.043	3	112.8429	3.721	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(NC[5]H){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]N){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]N)(OC){1|C<3>}	111.7560	0.000	1	111.7560	0.000	1	111.7560	0.000	1	112.8429	3.721	9	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O)	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CC[6a]O){1|C<4>,1|N<3>}	N[5a](C[5a,6]C[5a,6]N[6])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|H<1>,1|N<3>,2|C<4>}	111.5640	0.000	1	111.5640	0.000	1	111.5640	0.000	1	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCC){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	112.0880	0.126	2	112.0880	0.016	2	111.7211	0.124	9	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	111.5472	0.342	4	111.5472	0.117	4	111.7211	0.124	9	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCO){1|I<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|I<1>,3|C<3>}	C[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	111.9810	0.000	1	111.9810	0.000	1	111.7211	0.124	9	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]O){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	111.5720	0.355	2	111.5720	0.126	2	111.7211	0.124	9	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCO){1|C<4>}	110.9460	0.000	1	110.9460	0.000	1	110.9460	0.000	1	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC[6a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC[6a]H){1|C<4>}	110.7190	0.000	1	110.7190	0.000	1	111.3485	0.716	8	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCO){1|C<2>,1|S<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|S<2>}	111.4810	0.000	1	111.4810	0.000	1	111.3485	0.716	8	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|C<4>}	110.2660	0.000	1	110.2660	0.000	1	111.3485	0.716	8	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[5a]O){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|H<1>}	111.6960	0.000	1	111.6960	0.000	1	111.3485	0.716	8	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH){1|C<4>}	111.1683	0.180	3	111.1683	0.032	3	111.3485	0.716	8	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CNN){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH){1|N<3>}	113.1210	0.000	1	113.1210	0.000	1	111.3485	0.716	8	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(C[5]N[5]2){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]C[5]2){2|N<2>,4|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N){2|C<3>,2|N<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NOO){1|N<3>,2|C<3>}	111.1787	0.057	3	111.1787	0.003	3	112.1467	1.133	6	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[5]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2)	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(C[5]N[5]2){2|N<2>,2|N<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]N){2|N<2>,2|N<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]N)(NHH){1|N<3>,2|N<2>}	113.1147	0.131	3	113.1147	0.017	3	112.1467	1.133	6	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|H<1>,2|O<2>,4|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	112.0680	0.000	1	112.0680	0.000	1	112.0680	0.000	1	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(CC[6a]C)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]C){1|H<1>,4|C<3>}	114.2020	0.000	1	114.2020	0.000	1	113.7222	0.099	5	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(CC[6a]O)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CC[6a]O){1|H<1>,4|C<3>}	113.3210	0.000	1	113.3210	0.000	1	113.7222	0.099	5	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(CNN)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CNN){1|H<1>,4|C<3>}	113.6940	0.042	2	113.6940	0.002	2	113.7222	0.099	5	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(COO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(COO){1|H<1>,4|C<3>}	113.7000	0.000	1	113.7000	0.000	1	113.7222	0.099	5	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){3|H<1>,6|C<3>}	114.0930	0.000	1	114.0120	0.043	3	114.0120	0.043	3	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	113.9715	0.276	2	114.0120	0.043	3	114.0120	0.043	3	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(NHH)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|N<3>,1|O<1>,3|C<3>}	112.7900	0.520	2	112.7900	0.271	2	112.1950	1.197	3	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(NOO)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(NOO){1|H<1>,4|C<3>}	111.0050	0.000	1	111.0050	0.000	1	112.1950	1.197	3	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC){1|N<2>,3|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])(N[5a]N[5a]N){2|H<1>,4|C<3>}	115.1590	0.000	1	115.1590	0.000	1	115.1590	0.000	1	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]N)(CCH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]N){4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]N[5a]N)(CCH){3|C<3>}	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(NHH){1|C<3>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]N){1|C<3>,1|N<2>,3|N<3>}	113.6410	0.337	2	113.6410	0.113	2	113.6410	0.113	2	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO){1|N<3>}	112.0050	0.000	1	112.0050	0.000	1	112.6730	0.793	4	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NHH){1|N<3>}	113.9840	0.000	1	113.9840	0.000	1	112.6730	0.793	4	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]N)(NOO){1|N<3>}	112.4130	0.000	1	112.4130	0.000	1	112.6730	0.793	4	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:N-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]N){2|N<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	112.2900	0.000	1	112.2900	0.000	1	112.6730	0.793	4	112.4130	1.461	46	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BC[6a]2){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	109.8540	0.000	1	109.8540	0.000	1	109.8540	0.000	1	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH)	N[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]N[5a]C)(CCHN)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CCHN){1|H<1>,2|C<3>}	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.7890	0.000	1	111.7890	0.000	1	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.9895	0.073	4	111.9895	0.005	4	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	111.3040	0.230	3	111.3040	0.053	3	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.5540	0.088	2	111.5540	0.008	2	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.9323	0.141	3	111.9323	0.020	3	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.2723	0.586	7	111.2723	0.344	7	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	112.0020	0.006	2	112.0020	0.000	2	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	111.3520	0.329	4	111.3520	0.108	4	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.3103	0.264	3	111.3103	0.070	3	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.5565	0.909	4	111.5565	0.826	4	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O)	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]O){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]S)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|S<2>}	112.3140	0.000	1	112.3140	0.000	1	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.7731	0.448	7	111.7731	0.201	7	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNO){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|N<3>}	113.2740	0.000	1	113.2740	0.000	1	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CNS){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.1765	0.295	2	111.1765	0.087	2	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.9415	0.342	2	111.9415	0.117	2	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]O){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.8340	0.000	1	111.8340	0.000	1	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]O){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	112.3870	0.000	1	112.3870	0.000	1	111.6562	0.299	48	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	111.5690	0.000	1	111.6792	0.035	5	111.6792	0.035	5	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	111.7020	0.324	2	111.6792	0.035	5	111.6792	0.035	5	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6]-3:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2)	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(C[6]N[6]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	111.7115	0.136	2	111.6792	0.035	5	111.6792	0.035	5	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|N<2>,2|C<4>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CH3){1|C<4>,1|N<3>,3|C<3>}	114.7770	0.000	1	114.7770	0.000	1	113.4150	3.710	2	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(C[6a]N[6a]2){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<4>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(CCHH){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	112.0530	0.000	1	112.0530	0.000	1	113.4150	3.710	2	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(CCHH)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CCHH){1|H<1>,4|C<3>}	114.1800	0.000	1	114.1800	0.000	1	113.6670	0.526	2	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(CF3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(CF3){1|H<1>,4|C<3>}	113.1540	0.000	1	113.1540	0.000	1	113.6670	0.526	2	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2)	N[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]N[5a])(PO3)	N[5a](C[5a]C[5a,6a]P)(N[5a]C[5a,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|P<4>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(PO3){1|H<1>,4|C<3>}	113.7680	0.000	1	113.7680	0.000	1	113.7680	0.000	1	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:N-3:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N[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]N[5a]N)(CCHO)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]N){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]N)(CCHO){1|H<1>,2|C<3>}	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:P-3:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PPP){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	111.0695	0.161	2	111.0695	0.026	2	111.0695	0.026	2	111.8477	0.858	63	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:3:	3:3:	4:3:3:	C[5a]-3:N[5a]-2:C-3:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(CCO){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]C){2|H<1>,3|C<4>}	111.3185	0.667	2	111.3185	0.445	2	111.3185	0.445	2	111.3185	0.445	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	107.8055	0.194	2	107.8055	0.038	2	108.1054	0.106	36	108.0798	0.346	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	108.1240	0.000	1	108.1240	0.000	1	108.1054	0.106	36	108.0798	0.346	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	108.1671	0.301	28	108.1671	0.090	28	108.1054	0.106	36	108.0798	0.346	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	107.8577	0.586	3	107.8577	0.343	3	108.1054	0.106	36	108.0798	0.346	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(H)	107.9045	0.036	2	107.9045	0.001	2	108.1054	0.106	36	108.0798	0.346	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-1:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(S)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<1>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(S)	109.6970	0.000	1	109.6970	0.000	1	109.6970	0.000	1	108.0798	0.346	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:1:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(N[5a]N[5a])	C[5a](N[5a]N[5a]Si)(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(N[5a]N[5a]){1|H<1>}	C[5a](N[5a]N[5a]Si)(N[5a]N[5a])(H)	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	108.0798	0.346	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	108.8346	0.455	8	108.8346	0.207	8	108.7403	0.285	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	108.9510	0.375	2	108.9510	0.140	2	108.7403	0.285	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	109.3660	0.256	2	109.3660	0.066	2	108.7403	0.285	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NN)	108.3934	0.531	7	108.3934	0.282	7	108.7403	0.285	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	108.9220	0.000	1	108.9220	0.000	1	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	108.3400	0.000	1	108.3400	0.000	1	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPd)	108.8240	0.000	1	108.8240	0.000	1	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPt)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SPt)	109.4050	0.000	1	109.4050	0.000	1	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC)	108.1948	0.253	11	108.1948	0.064	11	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5])	108.2600	0.000	1	108.2600	0.000	1	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SC[5a])	107.6070	0.000	1	107.6070	0.000	1	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(SS)	108.1025	0.063	2	108.1025	0.004	2	108.3003	0.178	19	108.5203	0.275	38	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	108.9517	0.232	3	108.9517	0.054	3	108.9155	0.041	4	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCH)	108.8070	0.000	1	108.8070	0.000	1	108.9155	0.041	4	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	107.6820	0.000	1	107.6820	0.000	1	108.1005	0.389	15	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	107.4060	0.375	3	107.4060	0.141	3	108.1005	0.389	15	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	108.3674	0.466	8	108.3674	0.217	8	108.1005	0.389	15	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NHH)	108.9150	0.000	1	108.9150	0.000	1	108.1005	0.389	15	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	108.4620	0.000	1	108.4620	0.000	1	108.1005	0.389	15	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	107.2910	0.000	1	107.2910	0.000	1	108.1005	0.389	15	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(N[5a]N[5a])(CCHH){2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(N[5]C[5]2){2|C<4>,4|H<1>}	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	108.2510	0.412	20	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]N[5a])	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]B)(N[5a]N[5a])(CCFF)	106.1380	0.000	1	106.1380	0.000	1	106.1380	0.000	1	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	107.6120	0.180	3	107.6120	0.032	3	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCCN)	108.4430	0.000	1	108.4430	0.000	1	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HN)	109.1740	0.000	1	109.1740	0.000	1	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHH)	108.9810	0.103	2	108.9810	0.011	2	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CCHN)	108.6185	0.445	4	108.6185	0.198	4	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHO)	108.4760	0.000	1	108.4760	0.000	1	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	108.2910	0.000	1	108.2910	0.000	1	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	108.6460	0.000	1	108.6460	0.000	1	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CHHN)	108.3700	0.000	1	108.3700	0.000	1	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	N[5a](C[5a]N[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(CN[5]HH)	108.7590	0.000	1	108.7590	0.000	1	108.4644	0.276	16	108.3276	0.577	17	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BCHH){1|H<1>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]B)(H)	108.3870	0.000	1	108.3870	0.000	1	108.6430	0.131	2	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(BC[5]HH){1|C<3>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(H)	108.8990	0.000	1	108.8990	0.000	1	108.6430	0.131	2	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(Br){2|C<3>}	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC3){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	110.7580	0.286	2	110.7580	0.082	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCCH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	111.5730	0.000	1	111.5730	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.9565	0.210	4	110.9565	0.044	4	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCFF){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	109.9580	0.000	1	109.9580	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	111.0650	0.367	4	110.8388	0.243	34	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.8086	0.505	30	110.8388	0.243	34	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.7827	0.243	3	110.7505	0.142	60	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.7488	0.384	57	110.7505	0.142	60	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	111.2560	0.000	1	111.2560	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){2|C<3>}	110.6520	0.010	2	110.6520	0.000	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]CH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	109.9750	0.000	1	109.9750	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	111.3420	0.000	1	110.9490	0.212	7	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.8835	0.467	6	110.9490	0.212	7	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.8367	0.395	3	110.7564	0.083	8	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.7082	0.245	5	110.7564	0.083	8	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(H)	110.6580	0.000	1	110.6580	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]CC){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.4724	0.421	5	110.4724	0.177	5	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.8810	0.000	1	110.8810	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[5a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	109.6850	0.781	5	109.6850	0.610	5	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.9533	0.677	6	110.9533	0.459	6	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.7567	0.654	3	110.7567	0.428	3	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	110.8792	0.457	4	110.8792	0.209	4	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	110.3700	0.000	1	110.8305	0.424	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	111.2910	0.000	1	110.8305	0.424	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CC){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	111.1260	0.000	1	111.1260	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.9255	0.250	2	110.9255	0.062	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|O<2>,2|C<4>}	110.4877	0.075	3	110.4877	0.006	3	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	111.2390	0.000	1	111.2390	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	110.8689	0.302	17	110.9219	0.117	51	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.9484	0.362	34	110.9219	0.117	51	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.9405	0.287	8	110.8042	0.221	75	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.4600	0.579	10	110.8042	0.221	75	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.8455	0.449	57	110.8042	0.221	75	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	110.5927	1.331	3	110.9427	0.527	9	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	111.0050	0.000	1	110.9427	0.527	9	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,2|C<3>}	111.1850	0.000	1	110.9427	0.527	9	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	111.1290	0.191	4	110.9427	0.527	9	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(H){1|C<3>,1|H<1>,1|O<2>}	111.3960	0.000	1	111.3960	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|C<4>}	111.7640	0.000	1	111.2040	0.339	3	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	110.6020	0.000	1	111.2040	0.339	3	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]N[5])(N[5a]N[5a]C)(H){2|C<3>}	111.2460	0.000	1	111.2040	0.339	3	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|P<3>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	110.6990	0.371	2	110.8588	0.067	5	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|P<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|P<4>}	C[5a](C[5a]N[5a]P)(N[5a]N[5a]C)(H)	110.9653	0.151	3	110.8588	0.067	5	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|S<4>}	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(H)	111.5410	0.000	1	111.5410	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CH3){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.6700	0.000	1	110.6700	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.9510	0.000	1	110.9510	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHO){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.7430	0.677	2	110.7430	0.459	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CHHS){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){2|C<3>}	110.4870	0.000	1	110.4870	0.000	1	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]2H){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.8013	0.112	3	110.8013	0.012	3	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]CH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	111.1585	0.120	2	111.1585	0.014	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(CN[5a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(H){1|C<3>,1|N<2>}	111.2000	0.139	2	111.2000	0.019	2	110.8147	0.216	312	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCFF){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	110.2420	0.000	1	110.2420	0.000	1	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|I<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	110.3520	0.000	1	110.3520	0.000	1	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	110.8223	0.889	6	110.8223	0.791	6	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|I<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|I<1>}	C[5a](C[5a]N[5a]I)(N[5a]N[5a]C)(I)	111.2030	0.000	1	111.2030	0.000	1	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CCHH){1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|I<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	111.7040	0.000	1	111.7040	0.000	1	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	110.6445	0.310	2	110.6445	0.096	2	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|I<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(I)	110.8160	0.000	1	110.8160	0.000	1	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	C[5a](C[5a]N[5a]C[6])(N[5a]N[5a]C)(I){2|C<3>}	110.9590	0.263	4	110.9590	0.069	4	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CH3){1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|I<1>,1|N<3>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a]C)(I)	111.5310	0.000	1	111.5310	0.000	1	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I)	N[5a](C[5a]C[5a]I)(N[5a]N[5a])(CHHS){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|I<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(I){2|C<3>}	110.5380	0.000	1	110.5380	0.000	1	110.8655	0.357	19	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]N[5a])(CH3){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|O<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O){2|C<3>}	111.5645	0.233	2	111.5645	0.054	2	111.5645	0.054	2	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:1:	C[5a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO)	N[5a](N[5a]C[5a]S)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(N[5a]N[5a])(SC[6a]OO){1|C<4>}	N[5a](N[5a]C[5a]S)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]S)(H)	110.2480	0.780	3	110.2480	0.609	3	110.2480	0.609	3	110.8016	0.258	339	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CN)	110.2110	0.000	1	110.2110	0.000	1	110.7704	0.242	5	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC){2|C<3>}	110.8250	0.123	2	110.8250	0.015	2	110.7704	0.242	5	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CC)	110.9955	0.729	2	110.9955	0.531	2	110.7704	0.242	5	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	112.2650	0.000	1	111.5005	0.282	4	111.5005	0.282	4	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<2>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NC)	111.2457	0.184	3	111.5005	0.282	4	111.5005	0.282	4	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	110.6450	0.000	1	110.6450	0.000	1	110.8414	0.215	5	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CCHH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|H<1>,1|S<2>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(SC[5a])	110.4980	0.311	2	110.4980	0.097	2	110.8414	0.215	5	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[5]CH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	111.5050	0.000	1	111.5050	0.000	1	110.8414	0.215	5	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]2H){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC){2|C<3>}	111.0610	0.000	1	111.0610	0.000	1	110.8414	0.215	5	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(CCHO){2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|H<1>}	108.4270	0.235	2	108.4270	0.055	2	108.4270	0.055	2	110.6822	1.050	16	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(BC[5]HH){3|C<3>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,2|H<1>}	109.5550	0.000	1	109.5550	0.000	1	109.5550	0.000	1	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|S<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	111.3730	0.000	1	111.3730	0.000	1	111.1320	0.116	2	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5]C[5]S[5])(C[5a]N[5a]H)(N[5a]N[5a]C){1|C<3>,1|H<1>,1|S<2>}	110.8910	0.000	1	110.8910	0.000	1	111.1320	0.116	2	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	110.9762	0.318	4	110.9762	0.101	4	110.6301	0.175	29	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CCHH){1|C<3>,1|N<3>,1|P<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|P<4>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	110.7845	0.052	2	110.7845	0.003	2	110.6301	0.175	29	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6]HH){1|C<3>,1|N<2>,1|O<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O[5a])(N[5a]N[5a]C){4|C<3>}	110.4880	0.000	1	110.4880	0.000	1	110.6301	0.175	29	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	110.8347	0.062	4	110.8347	0.004	4	110.6301	0.175	29	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]C)(N[5a]N[5a]C){2|C<4>,2|N<2>}	110.6551	0.456	10	110.6551	0.208	10	110.6301	0.175	29	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|N<3>,1|P<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|P<4>}	C[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]P)(N[5a]N[5a]C){1|C<4>,1|P<4>,2|N<2>}	110.3026	0.402	8	110.3026	0.161	8	110.6301	0.175	29	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCHH){1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.3183	0.192	3	111.3183	0.037	3	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]CH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.0500	0.000	1	111.0500	0.000	1	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[5]HH){3|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.2060	0.000	1	111.2060	0.000	1	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]2H){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.4830	0.000	1	111.4830	0.000	1	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<2>,1|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.1893	0.310	3	110.8122	1.145	9	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Cl<1>,1|N<3>,2|C<3>}	110.9120	0.000	1	110.8122	1.145	9	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	110.5660	1.434	5	110.8122	1.145	9	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.1410	0.348	3	111.1410	0.121	3	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	111.5110	0.000	1	111.5110	0.000	1	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){1|S<6>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<6>}	C[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.5820	0.000	1	111.5820	0.000	1	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CHHN){1|Br<1>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|C<3>}	C[5a](C[5a]N[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]C){1|Br<1>,1|H<1>,2|C<3>}	111.5550	0.000	1	111.5550	0.000	1	111.0988	0.557	21	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO){2|C<3>}	110.6520	0.000	1	110.6520	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	110.8810	0.000	1	110.8810	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	110.1505	0.023	2	110.1505	0.001	2	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(COO)	110.4060	0.000	1	110.4060	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CCO){2|C<3>}	110.3880	0.058	2	110.3880	0.003	2	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]C){2|C<3>}	111.2400	0.000	1	111.2400	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CHO){2|C<3>}	110.6430	0.000	1	110.6430	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CNO){2|C<3>}	111.3040	0.000	1	111.3040	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(COO){2|C<3>}	110.5640	0.000	1	110.5640	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(COO)	110.7540	0.000	1	110.7540	0.000	1	110.6268	0.140	12	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS){2|C<3>}	110.1400	0.000	1	110.1400	0.000	1	110.4345	0.173	2	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(NHH)	110.7290	0.000	1	110.7290	0.000	1	110.4345	0.173	2	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5]-3:	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,2|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.4130	0.492	4	110.4130	0.243	4	110.4130	0.243	4	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]N[5a])(CC[5]CH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|P<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(PC[6a]2){2|C<3>}	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CCCH){1|C<3>,1|H<1>,1|N<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,2|C<3>}	111.1530	0.265	6	111.1530	0.070	6	111.2180	0.078	8	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CC[6a]HH){3|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	111.2000	0.000	1	111.2000	0.000	1	111.2180	0.078	8	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]N[5a])(CH3){3|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[6a]N[5a])(N[5a]N[5a]C){1|O<2>,5|C<3>}	111.6260	0.000	1	111.6260	0.000	1	111.2180	0.078	8	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO)	N[5a](N[5a]C[5a]S)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO){1|C<3>}	N[5a](N[5a]C[5a]S)(N[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NCH){2|C<3>}	111.8000	0.000	1	111.8000	0.000	1	110.8875	1.665	2	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO)	N[5a](N[5a]C[5a]S)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NHS)	N[5a](C[5a]C[5a]N)(N[5a]N[5a])(SC[6a]OO){1|C<3>}	N[5a](N[5a]C[5a]S)(N[5a]C[5a]){1|C<3>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]S)(NHS){2|C<3>}	109.9750	0.000	1	109.9750	0.000	1	110.8875	1.665	2	110.8100	0.354	82	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH)	N[5a](N[5a]C[5a]B)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(BC[5]HH){1|C<3>}	N[5a](N[5a]C[5a]B)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]B)(CH3)	109.5450	0.000	1	109.5450	0.000	1	109.5450	0.000	1	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	111.5210	0.000	1	111.5210	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	110.9160	0.058	2	110.9160	0.003	2	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	110.9990	0.000	1	110.9990	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CCHH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6a]HH)	111.0060	0.000	1	111.0060	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	110.8000	0.518	2	110.8000	0.268	2	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[5a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	111.4327	0.254	3	111.4327	0.065	3	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHO)	110.7125	0.100	2	110.7125	0.010	2	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]CH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	111.2780	0.000	1	111.2780	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HN){2|C<3>}	110.8890	0.000	1	110.8890	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(CC[6a]HO){2|C<3>}	111.1660	0.250	2	111.1660	0.063	2	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CCHO)	111.7190	0.000	1	111.7190	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CF3)	109.8650	0.000	1	109.8650	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	111.3832	0.258	9	111.3832	0.067	9	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHN)	111.6480	0.000	1	111.6480	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	110.3740	0.829	2	110.3740	0.687	2	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CCHH)	111.3290	0.000	1	111.3290	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CHHN)	110.2560	0.000	1	110.2560	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[5a]HH)	110.9343	0.188	3	110.9343	0.035	3	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]C)(CN[6]HH)	110.7880	0.765	2	110.7880	0.585	2	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CC[6a]HH){1|S<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|S<4>}	C[5a](C[5a]N[5a]S)(N[5a]N[5a]C)(CCHH)	111.9450	0.000	1	111.9450	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CH3){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CH3)	111.4610	0.000	1	111.4610	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(CN[6a]HH){1|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){2|C<4>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(CHHO)	111.5730	0.000	1	111.5730	0.000	1	111.1138	0.246	40	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P[6]-4:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2C)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<2>,1|C<4>,2|N<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2C){1|Fe<10>,2|C<4>,2|P<4>}	110.1390	0.000	1	110.1390	0.000	1	110.3085	0.057	2	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P[6]-4:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2F)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|F<1>,2|N<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	C[5a](C[5a]N[5a]C[5])(N[5a]N[5a]C)(P[6]N[6]2F){1|Fe<10>,2|C<4>,2|P<4>}	110.4780	0.000	1	110.4780	0.000	1	110.3085	0.057	2	111.0399	0.314	43	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:3:6:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:S-6:	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4)	N[5a](C[5a]C[5a]S)(N[5a]N[5a])(CC[6a]HH){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|S<6>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(SC[6a]F4){2|C<3>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	109.3490	0.000	1	109.3490	0.000	1	108.9590	0.304	2	108.8190	0.097	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(C[5]C[5]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	108.5690	0.000	1	108.5690	0.000	1	108.9590	0.304	2	108.8190	0.097	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCCH){1|N<3>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	108.8320	0.000	1	108.8320	0.000	1	108.7257	0.009	3	108.8190	0.097	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:4:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|N<3>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](N[5a]N[5a]C)(C[6]C[6]2N)(N[5a]N[5a]){2|C<4>,4|H<1>}	108.6725	0.029	2	108.6725	0.001	2	108.7257	0.009	3	108.8190	0.097	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:4:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	111.4125	0.057	2	111.2887	0.048	3	111.2887	0.048	3	111.2887	0.048	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	3:4:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5]-4:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|Fe<10>,1|P<4>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	C[5a](C[5a]N[5a]P[6])(C[5]C[5]2Fe)(N[5a]N[5a]C){1|F<1>,2|C<4>,2|H<1>,2|N<2>}	111.0410	0.000	1	111.2887	0.048	3	111.2887	0.048	3	111.2887	0.048	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	107.6550	0.000	1	107.5710	0.014	2	108.2265	0.351	6	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|S<2>,3|H<1>}	107.4870	0.000	1	107.5710	0.014	2	108.2265	0.351	6	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]CH){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|H<1>,3|C<4>}	108.5570	0.000	1	108.5570	0.000	1	108.2265	0.351	6	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	108.0060	0.000	1	108.0060	0.000	1	108.2265	0.351	6	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(N[5a]N[5a])(CH3){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[5]C[5]N[5]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	108.8270	0.059	2	108.8270	0.004	2	108.2265	0.351	6	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|N<3>,2|C<3>}	107.3100	0.000	1	107.1080	0.082	2	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	106.9060	0.000	1	107.1080	0.082	2	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	107.7080	0.000	1	107.5313	0.029	3	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	107.5190	0.000	1	107.5313	0.029	3	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC3){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	107.3670	0.000	1	107.5313	0.029	3	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,3|C<3>}	108.0215	0.118	4	108.0499	0.086	7	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){4|C<3>}	108.0877	0.484	3	108.0499	0.086	7	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|C<4>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){1|H<1>,4|C<4>}	108.4040	0.000	1	108.4040	0.000	1	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]CH){1|C<3>,1|H<1>,1|N<3>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<3>,2|C<4>}	108.4570	0.000	1	108.4570	0.000	1	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<3>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){1|C<4>,1|O<2>,3|H<1>}	108.4460	0.130	2	108.2977	0.074	3	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:2:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]N[5a])	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(N[5a]N[5a])(CC[6a]HH){1|N<4>,2|C<4>}	N[5a](N[5a]C[5a]C)(N[5a]N[5a]){1|C<4>}	C[5a](C[6]C[6]N[6]C)(N[5a]N[5a]C)(N[5a]N[5a]){2|C<4>,4|H<1>}	108.0010	0.000	1	108.2977	0.074	3	107.9361	0.228	17	108.0118	0.262	23	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[5])(N[5a]N[5a])(CC[5]HH){1|C<4>,1|O<2>,2|H<1>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	C[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<4>}	111.1910	0.427	2	111.1910	0.182	2	111.1910	0.182	2	110.5736	0.453	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	P[6]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>,2|P<4>}	110.6060	0.000	1	110.1620	0.180	3	110.1620	0.180	3	110.5736	0.453	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:2:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a]-3:N[5a]-2:	P[6]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH)	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C)	N[5a](C[5a]C[5a]P[6])(N[5a]N[5a])(CC[6a]HH){1|C<3>,1|C<4>,2|N<2>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|P<4>}	C[5a](P[6]C[5a]N[6]2)(C[5a]N[5a]C[5])(N[5a]N[5a]C){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|P<4>}	109.9400	0.255	2	110.1620	0.180	3	110.1620	0.180	3	110.5736	0.453	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	108.0660	0.000	1	108.0660	0.000	1	107.9163	0.010	6	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]2H){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	107.8973	0.094	3	107.8973	0.009	3	107.9163	0.010	6	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(BN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]B){1|H<1>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(H){1|H<1>}	107.8700	0.079	2	107.8700	0.006	2	107.9163	0.010	6	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:Br-1:	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br)	N[5a](C[5a]N[5a]Br)(N[5a]C[5a])(CBrCH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|Br<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(Br){1|H<1>}	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCCH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.3465	0.479	10	109.3465	0.230	10	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|C<3>}	109.3735	0.165	2	109.3735	0.027	2	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.4276	0.443	75	109.4276	0.196	75	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	110.6700	0.000	1	110.6700	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.5663	0.130	3	109.5663	0.017	3	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CCHS){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.0560	0.067	4	109.0560	0.004	4	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.5255	0.611	20	109.5255	0.373	20	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.3468	0.209	5	109.3468	0.044	5	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6]HH){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	109.2500	0.000	1	109.2500	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]CH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	108.9930	0.000	1	108.9930	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.4724	0.454	15	109.4724	0.206	15	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CC[6a]HH){1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|S<2>}	109.5970	0.000	1	109.5970	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CH3){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<2>}	109.3730	0.000	1	109.3730	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|N<3>}	110.0260	0.000	1	110.0260	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.5752	0.196	4	109.5752	0.038	4	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CHHS){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.5610	0.000	1	109.5610	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5]CH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.4820	0.000	1	109.4820	0.000	1	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]CH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.3765	0.384	2	109.3765	0.147	2	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|H<1>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(H){1|H<1>}	109.9550	0.124	2	109.9550	0.015	2	109.4497	0.206	150	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	112.3890	0.000	1	112.3890	0.000	1	112.1937	0.055	3	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(N[5a]C[5a])(CH3){1|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]N[5a]C)(O[5a]C[5a])(O){1|C<3>}	112.0960	0.228	2	112.0960	0.052	2	112.1937	0.055	3	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CCHH){1|S<2>}	N[5a](C[5a]S[5a]S)(N[5a]C[5a]C){1|O<1>}	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O){1|S<2>}	118.1630	0.266	4	118.1630	0.071	4	118.2897	0.101	6	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS)	N[5a](C[5a]S[5a]O)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(N[5a]C[5a])(CHHS){1|O<2>}	N[5a](C[5a]S[5a]O)(N[5a]C[5a]C){1|O<1>}	C[5a](N[5a]N[5a]C)(S[5a]C[5a])(O){1|O<2>}	118.5430	0.320	2	118.5430	0.102	2	118.2897	0.101	6	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|H<1>}	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(H){1|H<1>}	109.4980	0.000	1	109.4980	0.000	1	109.4980	0.000	1	109.7598	3.139	167	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCHH){1|N<2>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<2>}	110.8930	0.000	1	110.8930	0.000	1	110.7799	0.323	7	110.2976	0.659	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	110.7560	0.000	1	110.7560	0.000	1	110.7799	0.323	7	110.2976	0.659	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NN){1|N<3>}	110.7620	0.693	5	110.7620	0.481	5	110.7799	0.323	7	110.2976	0.659	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CH3){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|O<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(OC){1|N<3>}	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	110.2976	0.659	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|C<3>}	109.6680	0.000	1	109.6680	0.000	1	109.5617	0.020	3	110.2976	0.659	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CCHH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|H<1>}	109.6140	0.000	1	109.6140	0.000	1	109.5617	0.020	3	110.2976	0.659	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC)	N[5a](C[5a]N[5a]S)(N[5a]C[5a])(CN[5a]HH){1|C<3>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C){1|C<3>,1|N<3>,1|S<2>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(SC){1|C<3>}	109.4030	0.000	1	109.4030	0.000	1	109.5617	0.020	3	110.2976	0.659	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(BN[5a]HH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]B){1|N<3>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(NOO){1|N<3>}	106.1637	0.236	6	106.1637	0.056	6	106.1637	0.056	6	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(CHHO){1|C<2>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(CNO){1|C<2>}	109.6235	0.162	2	109.6235	0.026	2	109.6235	0.026	2	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CCCH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO){1|N<3>}	107.8735	0.279	2	107.8735	0.078	2	109.4215	2.222	6	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CC[5]HH){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	110.4600	0.000	1	110.4600	0.000	1	109.4215	2.222	6	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHH){1|N<3>}	110.4780	0.000	1	110.4780	0.000	1	109.4215	2.222	6	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CHHN){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NOO){1|N<3>}	108.5910	0.000	1	108.5910	0.000	1	109.4215	2.222	6	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(CN3){1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|N<3>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(NHN){1|N<3>}	111.2530	0.000	1	111.2530	0.000	1	109.4215	2.222	6	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S)	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a])(SC[6a]OO){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]S){1|N<3>}	C[5a](N[5a]N[5a]S)(N[5a]C[5a])(NHH){1|H<1>}	109.1580	0.000	1	109.1580	0.000	1	109.1580	0.000	1	108.1277	3.581	15	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]B){1|C<4>,2|C<3>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<3>}	108.1870	0.000	1	108.1870	0.000	1	108.4220	0.047	4	109.6234	0.861	12	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B)	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]B){1|C<4>}	C[5a](N[5a]N[5a]B)(N[5a]C[5a])(CH3){1|C<4>}	108.5003	0.183	3	108.5003	0.033	3	108.4220	0.047	4	109.6234	0.861	12	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CCHH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Cu){1|H<1>}	110.4750	0.184	2	110.4750	0.034	2	110.2241	0.096	8	109.6234	0.861	12	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Pd){1|H<1>}	109.7580	0.163	2	109.7580	0.026	2	110.2241	0.096	8	109.6234	0.861	12	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:2:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:P-4:	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru)	N[5a](C[5a]N[5a]P)(N[5a]C[5a])(CN[5a]HH){1|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|P<4>}	C[5a](N[5a]N[5a]C)(N[5a]C[5a])(PC[6a]2Ru){1|H<1>}	110.3317	0.037	4	110.3317	0.001	4	110.2241	0.096	8	109.6234	0.861	12	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(BN[5]2H){2|Br<1>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B){2|Br<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(Br){1|Br<1>}	109.7910	0.000	1	109.7910	0.000	1	109.7910	0.000	1	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<4>}	110.9420	0.000	1	110.9420	0.000	1	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	110.0097	0.518	11	110.0097	0.269	11	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5]3){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	109.7578	0.515	6	109.7578	0.266	6	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	108.7574	0.709	5	108.7574	0.503	5	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<2>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<4>}	110.6350	0.000	1	110.6350	0.000	1	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	109.8887	1.324	3	109.7815	0.809	6	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	109.6743	0.484	3	109.7815	0.809	6	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	109.4872	0.193	4	109.4872	0.037	4	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(H){1|C<3>}	110.7363	1.106	3	110.7363	1.222	3	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<2>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]B)(H){1|C<3>}	110.8170	0.000	1	110.8170	0.000	1	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	110.0795	0.295	2	110.5183	0.898	11	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	110.6158	1.026	9	110.5183	0.898	11	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	109.4683	1.193	6	109.4683	1.422	6	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	110.4008	0.606	4	110.4008	0.368	4	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	110.0130	0.006	2	110.2752	0.164	4	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(BN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<3>}	110.5375	0.466	2	110.2752	0.164	4	109.9825	0.789	63	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5,5a,6]-3:N[5a]-3:	C[5,5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H)	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C)	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5,5a,6]H)(N[5a]C[5,5a,6])(CC[5a]N[5a]H){2|C<4>}	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C){1|H<1>,4|C<4>}	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]N[5a]C)(H){1|H<1>,3|C<4>}	113.0335	0.182	2	113.0335	0.033	2	113.0335	0.033	2	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(CH3){2|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]C){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]C)(H){1|C<4>,1|N<3>,2|H<1>}	113.0540	0.000	1	113.0540	0.000	1	113.0540	0.000	1	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H)	N[5a](C[5a]N[5a,6]H)(N[5a]C[5a,6])(CH3){2|C<3>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.9250	0.000	1	112.9250	0.000	1	112.9250	0.000	1	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	N[5a,6]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C)	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a,6]O)(N[5a]C[5a,6])(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a,6]N[5a,6]C[6])(N[5a]C[5a]C){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6,6a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(Cl)	N[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|Cl<1>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(Cl){1|H<1>,2|C<3>}	113.4170	0.000	1	113.4170	0.000	1	113.4170	0.000	1	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|C<3>,1|O<1>,1|O<2>}	113.7770	0.000	1	114.2460	0.440	2	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.7150	0.000	1	114.2460	0.440	2	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.7630	0.020	2	114.2972	0.126	18	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.3630	0.116	2	114.2972	0.126	18	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|Cl<1>,2|C<3>}	114.1100	0.000	1	114.2972	0.126	18	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.2066	0.370	12	114.2972	0.126	18	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|C<3>}	114.5090	0.000	1	114.2972	0.126	18	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	114.0500	0.037	2	114.1947	0.040	4	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CCHH){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|S<2>,2|N<2>}	114.3395	0.183	2	114.1947	0.040	4	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.3385	0.572	2	114.5187	0.261	3	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CC[6a]HH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|N<3>,2|C<3>}	114.8790	0.000	1	114.5187	0.261	3	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	114.3760	0.188	3	114.3760	0.035	3	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C)	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]2)(N[5a]N[5a]C)(H){1|N<3>,2|N<2>}	114.1337	0.582	3	114.1337	0.339	3	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3)	N[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]N[5a]C)(H)	N[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a])(CH3){1|C<3>,1|N<2>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C){1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(H){1|O<2>,2|N<2>}	114.9510	0.103	2	114.9510	0.011	2	114.3317	0.150	35	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH)	N[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]N[5a]C)(I)	N[5a](C[5a]C[5a,6a]I)(N[5a]C[5a,6a])(CC[6a]CH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|I<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(I){1|H<1>,2|C<3>}	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	N[5a,6a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH)	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a,6a]O)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(O){1|H<1>,2|C<3>}	114.4810	0.491	3	114.4810	0.241	3	114.4810	0.241	3	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(CHHN){2|Br<1>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]C){2|Br<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(Br){1|Br<1>}	111.3157	1.212	3	111.3157	1.469	3	111.3157	1.469	3	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(Cl){1|C<4>}	111.0107	0.336	3	111.0107	0.113	3	111.4205	0.747	4	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(N[5a]C[5a])(CHHN){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|Cl<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(Cl){1|N<3>}	112.6500	0.000	1	112.6500	0.000	1	111.4205	0.747	4	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCCH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	112.8860	0.000	1	112.8860	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCFF){1|Br<1>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|Br<1>,1|H<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(H){1|H<1>}	112.7185	0.457	2	112.7185	0.209	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.4303	0.350	6	112.3246	0.162	8	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.0075	0.504	2	112.3246	0.162	8	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.3230	1.516	11	111.3230	2.299	11	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	112.4960	0.916	4	112.4960	0.839	4	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	112.8320	0.000	1	112.8320	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CCHH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	112.8734	0.288	8	112.8734	0.083	8	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.9600	0.119	4	111.9600	0.014	4	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.0750	0.000	1	112.0750	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2C){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.5840	0.718	2	111.5840	0.516	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	111.2700	0.000	1	111.2700	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]CH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.9500	0.576	3	111.9500	0.332	3	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	112.8040	0.000	1	112.8040	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	112.1900	0.000	1	112.1900	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	110.4340	3.114	2	110.4340	9.698	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.0795	0.402	20	112.0480	0.143	24	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	111.8905	0.177	4	112.0480	0.143	24	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	111.6923	0.267	6	111.6923	0.071	6	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.7788	0.487	21	111.7788	0.237	21	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|H<1>}	111.3545	0.241	2	111.3545	0.058	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	112.9300	0.000	1	112.9300	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	112.6480	0.000	1	113.3670	0.769	4	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	114.5650	0.000	1	113.3670	0.769	4	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	113.1275	0.490	2	113.3670	0.769	4	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|C<4>}	113.2140	0.000	1	113.2140	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Os)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|Os<7>,1|C<3>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|Os<7>,1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]Os)(N[5a]N[5a]C)(H){1|C<3>}	112.5510	0.000	1	112.5510	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<3>}	112.6780	0.000	1	112.6780	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|I<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a]C)(H){1|C<3>}	112.2550	0.000	1	112.2550	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	111.6760	0.949	2	111.6760	0.900	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	111.6720	0.000	1	111.9390	0.172	7	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){1|Fe<10>,1|H<1>,2|C<4>}	112.0332	0.467	5	111.9390	0.172	7	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(H){2|C<4>,2|H<1>}	111.7350	0.000	1	111.9390	0.172	7	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	111.3360	0.093	2	111.3360	0.009	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	112.1690	0.000	1	112.2407	0.036	3	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|H<1>}	112.2765	0.254	2	112.2407	0.036	3	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	112.6500	0.000	1	112.7805	0.034	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|N<3>}	112.9110	0.000	1	112.7805	0.034	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CH3){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	112.2780	0.000	1	112.2780	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.9247	0.467	3	111.9247	0.218	3	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHHN){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(H){1|N<3>}	113.1520	0.000	1	113.1520	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CHNN){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|N<3>}	112.4340	0.010	2	112.4340	0.000	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2C){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.6740	0.000	1	111.6740	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.5417	0.658	7	112.5417	0.434	7	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2P){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	113.0130	0.000	1	113.0130	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]2S){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	111.5265	0.332	2	111.5265	0.110	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]CH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.0210	0.000	1	112.0210	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5]HH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.7205	0.301	2	111.7205	0.090	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2C){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.9882	0.541	68	111.9882	0.292	68	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.2897	0.059	3	112.2897	0.003	3	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.3832	0.138	5	112.3832	0.019	5	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2H){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.2205	0.245	13	112.2205	0.060	13	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2P){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.2131	0.350	15	112.2131	0.123	15	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]2S){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.2077	0.283	3	112.2077	0.080	3	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]CH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	111.9015	0.363	2	111.9015	0.132	2	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(H){1|C<4>}	112.6590	0.000	1	112.6590	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(H){1|H<1>,2|C<3>}	112.3930	0.000	1	112.3930	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.3830	0.000	1	112.3830	0.000	1	112.0792	0.467	261	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a]C)(O){1|C<4>,2|C<3>}	113.2163	0.047	3	113.2163	0.002	3	113.0048	0.089	5	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|N<3>,1|O<1>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a]C)(O){1|H<1>}	112.7720	0.000	1	112.7720	0.000	1	113.0048	0.089	5	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(CHHN){1|C<4>,1|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<4>,1|O<1>}	C[5a](N[5a]C[5a]C)(N[5a]N[5a]C)(O){1|N<3>}	112.6030	0.000	1	112.6030	0.000	1	113.0048	0.089	5	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:Ge-4:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(N[5a]C[5a])(GeN[5a]NN)	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O)	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>}	N[5a](N[5a]C[5a]Ge)(C[5a]N[5a]O){1|C<3>,1|O<1>}	C[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]Ge)(O){1|O<2>,2|C<3>}	111.0935	0.035	2	111.0935	0.001	2	111.0935	0.001	2	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]P)(Br)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a])(PN[5a]2O){2|Br<1>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]P){2|Br<1>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]P)(Br){1|Br<1>}	110.8718	1.415	6	110.8718	2.003	6	110.8718	2.003	6	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(PN[5a]2Cu){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]P){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(H){1|H<1>}	110.9833	0.567	3	110.9833	0.322	3	110.9833	0.322	3	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:S-4:	C[5,5a]-3:N[5a]-3:	C[5,5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO)	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S)	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5,5a]H)(N[5a]C[5,5a])(SCOO){2|C<4>}	N[5a](C[5,5a]C[5,5a]C[5])(N[5a]C[5a]S){1|C<4>,1|N<3>,3|H<1>}	C[5a](C[5,5a]C[5,5a]C[5])(N[5a]N[5a]S)(H){1|C<4>,1|N<3>,2|H<1>}	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(H){1|C<3>}	112.9290	0.000	1	112.9290	0.000	1	112.8460	0.014	2	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:1:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a])(SC[6a]OO){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(H){1|H<1>}	112.7630	0.000	1	112.7630	0.000	1	112.8460	0.014	2	111.9511	1.763	396	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH)	N[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]N[5a]C)(CC)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CCHH){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<2>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CC){1|H<1>,2|C<3>}	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<2>,1|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(CN){1|C<4>,2|C<3>}	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<2>}	112.9520	0.000	1	112.8935	0.007	2	112.7355	0.121	4	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NN){1|N<3>}	112.8350	0.000	1	112.8935	0.007	2	112.7355	0.121	4	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC){1|C<4>}	112.2190	0.000	1	112.2190	0.000	1	112.7355	0.121	4	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|N<2>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(NC){1|C<4>}	112.9360	0.000	1	112.9360	0.000	1	112.7355	0.121	4	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	109.4355	0.081	2	109.4355	0.007	2	109.5147	0.091	9	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|C<3>,1|N<3>,1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	110.0320	0.000	1	110.0320	0.000	1	109.5147	0.091	9	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	109.1200	0.000	1	109.1200	0.000	1	109.5147	0.091	9	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	109.7910	0.000	1	109.7910	0.000	1	109.5147	0.091	9	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO)	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHO){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]C){1|C<3>}	C[5a](C[5a]N[5a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	109.2505	0.149	2	109.2505	0.022	2	109.5147	0.091	9	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|N<3>,1|S<2>}	N[5a](C[5a]N[5a]S)(N[5a]C[5a]C){1|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]N[5a]C)(N[5a]C[5a]){1|S<2>,2|C<3>,2|H<1>}	109.6585	0.066	2	109.6585	0.004	2	109.5147	0.091	9	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC3){2|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){3|C<3>}	111.0690	0.000	1	111.0690	0.000	1	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OCu)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OCu){1|C<4>}	112.0960	0.000	1	112.0960	0.000	1	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]O)(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<4>,1|O<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|O<2>}	C[5a](C[5a]C[5a]O)(N[5a]N[5a]C)(OH){1|C<4>}	111.8530	0.054	2	111.8530	0.003	2	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(OH){1|C<3>}	110.1340	0.000	1	110.1340	0.000	1	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CC[6a]2O){2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	110.8215	0.047	2	110.8215	0.002	2	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	112.2840	0.371	2	111.4715	0.926	4	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<4>}	110.6590	0.000	2	111.4715	0.926	4	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a])	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC[6a]){1|C<4>}	111.1645	0.586	12	111.1645	0.344	12	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(ORu)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(ORu){1|C<4>}	113.3820	0.000	1	113.3820	0.000	1	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|O<2>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(OH){1|C<3>,1|C<4>,1|N<2>}	111.5805	0.616	2	111.5805	0.379	2	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OC){1|C<3>}	110.2930	0.000	2	110.2930	0.000	2	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH)	N[5a](C[5a]C[5a]O)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(OH){1|C<3>}	107.3670	0.000	1	107.3670	0.000	1	111.1381	1.130	29	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SC[6a])	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SC[6a]){1|C<4>}	111.9965	0.883	2	111.9965	0.780	2	111.9965	0.780	2	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C){3|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){2|H<1>,3|C<3>}	110.3510	0.000	1	110.3510	0.000	1	110.1023	0.063	3	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C)	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]C){1|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]N[5a]C)(N[5a]C[5a]){2|C<3>,2|H<1>}	109.8490	0.000	1	109.8490	0.000	1	110.1023	0.063	3	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[6a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C)	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(CH3){1|C<4>,2|C<3>}	N[5a](C[5a]N[5a]C)(N[5a]C[5a]C){1|C<3>}	C[5a](C[6a]C[6a]2)(N[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	110.1070	0.000	1	110.1070	0.000	1	110.1023	0.063	3	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:2:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC){1|C<3>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.0300	1.670	50	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]2H){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B){1|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	111.8570	0.000	1	111.8570	0.000	1	111.7483	0.011	3	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(BN[5a]HH){4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]B){1|F<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]B){3|F<1>,4|C<3>}	111.6940	0.069	2	111.6940	0.005	2	111.7483	0.011	3	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){2|Br<1>,2|C<3>}	N[5a](C[5a]C[5a]Br)(N[5a]C[5a]B){1|Br<1>,1|C<3>}	C[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]B){1|Br<1>,2|C<3>,2|H<1>}	110.7073	1.374	3	110.7073	1.888	3	110.4525	1.518	4	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]B){2|C<3>,3|C<4>}	109.6880	0.000	1	109.6880	0.000	1	110.4525	1.518	4	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHS)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CCHH){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHS){1|C<4>,1|N<4>,2|H<1>}	111.5930	0.000	1	111.5930	0.000	1	112.3127	0.460	4	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,1|N<3>,1|O<1>}	112.8425	0.432	2	112.5527	0.345	3	112.3127	0.460	4	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a,6]N)(N[5a]C[5a,6])(CH3){2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C){1|N<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,1|N<3>,2|H<1>}	111.9730	0.000	1	112.5527	0.345	3	112.3127	0.460	4	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|S<2>,2|C<3>}	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,3|C<3>}	113.2760	0.000	1	113.2760	0.000	1	112.1556	0.290	7	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|I<1>,2|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|I<1>}	C[5a](C[5a]C[5a]I)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|N<2>,1|N<3>}	112.1460	0.000	1	112.1460	0.000	1	112.1556	0.290	7	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,2|C<3>}	111.5030	0.000	1	111.5030	0.000	1	112.1556	0.290	7	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(N[5a]C[5a])(CN3){1|C<3>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	112.0410	0.039	4	112.0410	0.001	4	112.1556	0.290	7	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	111.6162	0.148	4	111.6162	0.022	4	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>}	C[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	111.6660	0.000	1	111.6660	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC3){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	110.9990	0.000	1	110.9990	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	110.9610	0.000	1	110.9610	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.1970	0.199	2	112.1970	0.040	2	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCCH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	112.4100	0.000	1	112.4100	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.1005	0.455	2	112.1005	0.207	2	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<4>,2|C<3>,2|H<1>}	111.9030	0.000	1	111.9030	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[5]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	113.0620	0.000	1	113.0620	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.3700	0.000	1	112.3700	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.3700	0.091	3	112.3700	0.008	3	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|S<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|S<4>,3|C<3>}	C[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.4170	0.000	1	112.4170	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){1|C<3>,1|N<2>,3|H<1>}	113.1930	0.000	1	113.1930	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.4970	0.001	2	112.4970	0.000	2	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	113.2040	0.000	1	113.2040	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CH3){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]C){2|C<3>,3|H<1>}	113.7160	0.000	1	113.7160	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]2H){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,2|C<3>,2|C<4>}	112.9960	0.000	1	112.9960	0.000	1	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]CH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	112.4553	0.358	6	112.4553	0.128	6	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CN[5a]HH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){1|H<1>,1|O<2>,3|C<3>}	112.3500	0.018	2	112.3500	0.000	2	112.2877	0.373	33	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:B[5]-3:	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2)	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a])(CH3){1|Cl<1>,1|H<1>,2|O<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|Cl<1>,1|B<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(B[5]O[5]2){1|H<1>,2|C<4>}	113.3170	0.000	1	113.3170	0.000	1	113.3170	0.000	1	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO){1|C<3>}	110.9093	0.260	3	110.9093	0.068	3	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	110.5247	0.128	3	110.5247	0.016	3	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CCO){1|C<4>}	111.7745	0.278	2	111.7745	0.077	2	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	112.1520	0.000	1	112.1520	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<4>}	111.1880	0.000	1	111.1880	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CNO){1|C<3>}	111.4410	0.000	1	111.4410	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	111.7368	0.171	5	111.7368	0.029	5	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	111.7000	0.298	2	111.7000	0.089	2	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHO){1|C<3>}	111.8240	0.000	1	111.8240	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	111.5722	0.220	15	111.5722	0.048	15	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHN){1|C<4>}	112.8080	0.000	1	112.8080	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CNO){1|C<4>}	112.0290	0.000	1	112.0290	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<3>}	111.8890	0.000	1	111.0775	1.317	2	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(COO){1|C<4>}	110.2660	0.000	1	111.0775	1.317	2	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5]O){1|C<4>}	112.7810	0.000	1	112.7810	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CN[5a]O){1|C<4>}	112.5440	0.000	1	112.5440	0.000	1	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(CN[5]O)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|S<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(CN[5]O){1|C<4>}	111.9675	0.284	2	111.9675	0.080	2	111.5804	0.314	42	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NHH){1|H<1>}	111.7410	0.000	1	111.7410	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]I)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NC[5a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|I<1>,1|N<3>}	N[5a](C[5a]C[5a]I)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NC[5a]H){1|I<1>}	111.3595	0.179	2	111.3595	0.032	2	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){1|Cl<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|Cl<1>,1|N<3>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(NOO){1|N<3>}	111.1115	0.364	2	111.1115	0.133	2	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CCHH){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	110.7420	0.693	2	110.7420	0.480	2	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CC[6a]HH){1|H<1>,1|N<2>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|N<2>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHH){1|H<1>}	111.9460	0.000	1	111.9460	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(NHH){1|C<4>,1|N<2>,1|S<2>}	112.2410	0.000	1	112.2410	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|C<4>}	111.4420	0.112	2	111.4420	0.012	2	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6])(N[5a]N[5a]C)(NHH){1|C<4>,2|N<2>}	111.6120	0.000	1	111.6120	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C)(NHH){1|C<4>,2|C<3>}	112.5200	0.000	1	112.5200	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NCH){1|C<4>}	111.4577	0.155	3	111.4577	0.024	3	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NHN){1|C<4>}	111.7710	0.000	1	111.7710	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|C<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH){1|C<3>}	111.8035	0.342	2	111.8035	0.117	2	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|H<1>}	112.1040	0.000	1	112.1040	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NHH){1|N<3>}	112.4330	0.000	1	112.4330	0.000	1	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CH3){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	111.2935	0.371	2	111.2935	0.138	2	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){1|H<1>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NOO){1|N<3>}	110.5755	0.203	2	110.5755	0.041	2	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(CHHN){2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){2|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(NOO){1|N<3>}	111.0580	0.397	3	111.0580	0.158	3	111.4489	0.314	28	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N[6]-3:	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]N[6])(N[5a]C[5a])(CH3){1|C<3>,1|S<2>,2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]C)(N[6]C[6]2){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|C<2>}	111.0710	0.000	1	111.0710	0.000	1	111.0710	0.000	1	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|P<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2){1|H<1>}	112.9360	0.218	2	112.9360	0.047	2	112.9360	0.047	2	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[6a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(CC[6a]HH){2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C[5a](C[6a]C[6a,6a]2)(C[5a]C[5a]H)(N[5a]N[5a]C){1|H<1>,4|C<3>}	112.2350	0.000	1	112.2350	0.000	1	112.2350	0.000	1	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CCHH){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]C[5a])(C[5a]C[5a]H)(N[5a]N[5a]C){1|N<3>,1|O<1>,3|C<3>}	111.4330	0.000	1	111.4330	0.000	1	111.7045	0.147	2	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a])(CHHN){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(N[5a]N[5a]C){2|C<3>,2|H<1>}	111.9760	0.000	1	111.9760	0.000	1	111.7045	0.147	2	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:C-4:	N[5a,5a]-3:N[5a]-3:	C[5a,5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH)	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C)	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a,5a]C[6a])(N[5a]N[5a,5a])(CCHH){1|N<2>,3|C<3>}	N[5a](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a](C[5a,5a]N[5a,5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,4|C<3>}	115.1780	0.000	1	115.1780	0.000	1	115.1780	0.000	1	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]S)(NHH)	N[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a])(SC[6a]OO){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]S)(NHH){1|C<3>,1|N<3>,1|O<1>}	112.4760	0.000	1	112.4760	0.000	1	112.4760	0.000	1	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a])(SC[6a]OO){1|C<4>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]S){2|C<4>,3|C<3>,3|H<1>}	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NCH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]S){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NCH){1|C<3>}	111.8940	0.000	1	111.8940	0.000	1	112.1390	0.448	3	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NCC)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<2>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){1|C<2>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NCC){1|H<1>}	111.6270	0.000	1	111.6270	0.000	1	112.1390	0.448	3	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]S){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH){1|N<3>}	112.8960	0.000	1	112.8960	0.000	1	112.1390	0.448	3	111.8398	0.625	134	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Cl<1>,1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]B)(CH3){1|C<4>}	110.7120	0.000	1	110.7120	0.000	1	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	109.8803	0.546	7	109.8803	0.298	7	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	109.8430	0.955	16	109.8430	0.913	16	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	110.5347	0.506	7	110.5347	0.256	7	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Ir){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	110.1300	0.020	2	110.1300	0.000	2	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]2Rh){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	111.0050	0.000	1	111.0050	0.000	1	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CC3){1|C<4>}	109.8190	0.000	1	109.8190	0.000	1	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	108.6300	0.000	1	108.6300	0.000	1	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2C){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	109.1810	0.584	3	109.1810	0.341	3	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[3x6]C[5a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[3x6]C[5a])(N[5a]C[5a]B){1|H<1>,4|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	109.5267	0.182	3	109.5267	0.033	3	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CF3){1|C<4>}	110.1157	0.222	3	110.1157	0.049	3	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	109.4460	0.494	2	109.4460	0.244	2	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	110.4042	0.466	6	110.1715	0.461	12	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	109.9388	0.817	6	110.1715	0.461	12	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CCCH){1|C<4>}	110.0350	0.000	1	110.0350	0.000	1	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<4>}	109.8608	0.205	5	109.8608	0.042	5	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|Br<1>,1|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|Br<1>,1|C<4>,2|C<3>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]B)(CH3){1|C<3>}	110.5320	0.000	1	110.5320	0.000	1	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CH3){1|C<3>}	109.7867	0.529	12	109.7867	0.280	12	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(BN[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(CF3){1|C<4>}	109.4610	0.000	1	109.4610	0.000	1	109.9368	0.474	79	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH)	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C)	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a,6]C)(N[5a]C[5a,6])(CCHH){1|C<3>,1|N<3>}	N[5a](C[5a,6]C[5a,6]C[6,6a])(N[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](C[5a,6]C[5a,6]N[6])(N[5a]N[5a]C)(CH3){1|C<3>,1|C<4>,1|S<4>}	113.7210	0.357	10	113.7210	0.128	10	113.7210	0.128	10	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3)	N[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]N[5a]C)(CH3)	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(CH3){2|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C)(CH3){1|H<1>,2|C<3>}	114.8350	0.000	1	114.8350	0.000	1	114.8350	0.000	1	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.1270	0.000	1	111.1270	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCCH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CCHH){1|C<3>}	112.5825	0.176	2	112.5825	0.031	2	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	112.3670	0.034	2	112.3670	0.001	2	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CHHS){1|C<4>}	112.2290	0.000	1	112.2290	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|Cl<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Cl<1>,1|C<4>}	C[5a](C[5a]C[5a]Cl)(N[5a]N[5a]C)(CHHS){1|C<4>}	112.1400	0.000	1	112.1400	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	112.1040	0.000	1	112.1040	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.3192	0.498	15	112.3192	0.248	15	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CCHH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	112.3220	0.256	4	112.3220	0.065	4	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.0060	0.000	1	112.0060	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[5a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.4004	0.381	5	112.4004	0.145	5	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	112.5150	0.000	2	112.5150	0.000	2	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	112.0670	0.000	1	112.0670	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.7630	0.000	1	111.7630	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.8333	0.279	3	111.8333	0.078	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]CH){1|C<4>,1|N<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	113.3700	0.000	1	113.3700	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	111.9610	0.848	3	111.9610	0.719	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.1757	0.587	12	112.1757	0.344	12	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CC[6a]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]C){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.6030	0.000	1	112.6030	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]2)(N[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	112.5975	0.002	2	112.5975	0.000	2	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|Br<1>,1|B<3>}	N[5a](C[5a]C[5a]B[5])(N[5a]C[5a]C){1|Br<1>,1|C<4>,2|O<2>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CF3){1|B<3>}	112.0530	0.000	1	112.0530	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CClHH){1|C<4>}	111.7700	0.000	1	111.7700	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	112.2490	0.197	2	111.9848	0.107	4	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.7205	0.052	2	111.9848	0.107	4	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|N<2>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]C)(CH3){1|C<4>}	113.0347	0.427	3	113.0347	0.182	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CHHO){1|C<3>}	112.7830	0.000	1	112.7830	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	113.1390	0.190	2	113.1390	0.036	2	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|F<1>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|F<1>}	C[5a](C[5a]C[5a]F)(N[5a]N[5a]C)(CCHO){1|H<1>}	112.5000	0.000	1	112.5000	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<2>,1|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]C){1|C<2>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|N<3>}	111.3090	0.000	1	111.3090	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|Br<1>,1|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|Br<1>,1|C<4>}	C[5a](C[5a]C[5a]Br)(N[5a]N[5a]C)(CH3){1|C<4>}	113.4660	0.000	1	113.4660	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.7405	0.336	2	111.7405	0.113	2	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CHHO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.8990	0.000	1	111.8990	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.3793	0.213	3	112.3793	0.045	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.1373	0.421	6	112.1373	0.177	6	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.6467	0.067	3	112.6467	0.005	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]HS){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.4950	0.000	1	112.4950	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|C<4>}	112.3990	0.324	3	112.3990	0.105	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]2H){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<3>}	112.8660	0.120	3	112.8660	0.014	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	112.6600	0.000	1	112.6600	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]CH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.1758	0.411	20	112.1758	0.169	20	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){2|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|C<4>}	C[5a](C[5a]C[5a]C[5])(N[5a]N[5a]C)(CH3){1|Fe<10>,3|C<4>}	112.4565	0.165	2	112.4565	0.027	2	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]HH){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(CH3){1|H<1>}	113.4057	0.381	3	113.4057	0.145	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5a]SiH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CC3){1|C<4>}	111.7643	0.439	4	111.7643	0.193	4	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[6]HH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.0750	0.337	3	112.0750	0.114	3	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CRhCH){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.9530	0.000	1	111.9530	0.000	1	112.2955	0.272	130	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[3]-4:	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H)	N[5a](C[5a]C[5a]C[3])(N[5a]C[5a])(CCHH){1|C<3>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[3]C[3]2H){1|C<3>,4|H<1>}	112.1740	0.000	1	112.1740	0.000	1	112.1740	0.000	1	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6]-4:	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H)	N[5a](C[5a]C[5a]C[6])(N[5a]C[5a])(CH3){2|C<4>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(C[6]C[6]2H){2|C<4>,5|H<1>}	112.9400	0.000	1	112.9400	0.000	1	112.9400	0.000	1	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Ru)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Ru){1|H<1>}	112.4905	0.053	2	112.4905	0.003	2	112.5102	0.009	4	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se)	N[5a](C[5a]C[5a]P)(N[5a]C[5a])(CN[5a]HH){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|H<1>,1|P<4>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(PC[6a]2Se){1|H<1>}	112.5300	0.154	2	112.5300	0.024	2	112.5102	0.009	4	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(SNOO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]2)(N[5a]N[5a]C)(SNOO){1|H<1>,2|N<2>}	111.2120	0.167	3	111.2120	0.028	3	111.3976	0.196	7	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SNOO){1|H<1>}	111.6410	0.635	3	111.6410	0.403	3	111.3976	0.196	7	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:S-4:	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SN[5a]OO)	N[5a](C[5a]C[5a]S)(N[5a]C[5a])(CH3){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){1|C<3>,1|S<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(SN[5a]OO){1|H<1>}	111.2240	0.000	1	111.2240	0.000	1	111.3976	0.196	7	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PC[6a]PdN){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	110.2170	0.000	1	110.2170	0.000	1	110.8820	0.333	3	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:P-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(PN[5a]CS){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	111.2145	0.050	2	111.2145	0.003	2	110.8820	0.333	3	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[5a]OO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|C<4>}	112.8130	0.000	1	112.8130	0.000	1	112.4330	0.146	4	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|C<4>}	111.9550	0.000	1	111.9550	0.000	1	112.4330	0.146	4	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CCHH)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|C<4>,1|H<1>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CCHH){1|C<3>}	112.3090	0.000	1	112.3090	0.000	1	112.4330	0.146	4	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SC[6a]OO){1|H<1>,1|O<2>}	N[5a](C[5a]C[5a]O)(N[5a]C[5a]S){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(CH3){1|O<2>}	112.6550	0.000	1	112.6550	0.000	1	112.4330	0.146	4	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiC3){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	109.8820	0.000	1	109.8820	0.000	1	110.4856	0.098	17	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(SiN[5a]3){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	110.5234	0.280	16	110.5234	0.079	16	110.4856	0.098	17	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:Si-4:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:Si-4:	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3)	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]N)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]N)(SiC3)	N[5a](C[5a]C[5a]Si)(N[5a]C[5a])(SiC3){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]N){1|Si<4>,1|N<2>}	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]N)(SiC3){1|N<3>}	111.9635	0.008	2	111.9635	0.000	2	111.9635	0.000	2	111.4864	1.713	259	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	4:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,1|H<1>,3|C<4>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B){2|H<1>,3|C<4>}	109.1890	0.000	1	109.1890	0.000	1	109.4395	0.126	2	111.7300	4.448	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	4:3:3:	C[5a]-3:N[5a]-2:B-4:	C[5a]-3:N[5a]-3:	C[5]-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B)	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a])(BN[5a]2H){1|Fe<10>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){1|C<4>,1|H<1>}	C[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]B){2|C<4>,3|H<1>}	109.6900	0.000	1	109.6900	0.000	1	109.4395	0.126	2	111.7300	4.448	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	4:3:3:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C-4:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CH3){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|C<4>}	C[5a](CC[5a]C[6a]O)(C[5a]C[5a]C)(N[5a]N[5a]C){1|H<1>}	112.8752	1.458	4	112.8752	2.125	4	112.8752	2.125	4	111.7300	4.448	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]N[5a]){3|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]N[5a]){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(H){1|C<3>,1|S<2>}	107.6630	0.000	1	107.6630	0.000	1	107.6630	0.000	1	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:Cl-1:	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl)	N[5a](C[5a]N[5a]Cl)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|Cl<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(Cl){2|C<3>}	107.2980	0.000	1	107.2980	0.000	1	107.2980	0.000	1	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.6190	0.000	1	107.5746	0.132	26	107.5746	0.132	26	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.9443	0.368	3	107.5746	0.132	26	107.5746	0.132	26	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.8343	0.599	3	107.5746	0.132	26	107.5746	0.132	26	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.7440	0.000	1	107.5746	0.132	26	107.5746	0.132	26	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.4540	0.000	1	107.5746	0.132	26	107.5746	0.132	26	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(H){2|C<3>}	107.4580	0.298	17	107.5746	0.132	26	107.5746	0.132	26	107.5679	0.125	28	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]2)(N[5a]N[5a]){3|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NN){2|N<2>}	108.9333	0.333	3	108.9333	0.111	3	108.9333	0.111	3	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC){2|C<3>}	107.7590	0.000	1	107.7590	0.000	1	107.7590	0.000	1	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:O-2:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(OC){2|C<3>}	106.7880	0.672	2	106.7880	0.451	2	106.7880	0.451	2	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	108.0340	0.000	1	108.0315	0.178	37	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	108.4850	0.000	1	108.0315	0.178	37	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	107.8060	0.000	1	108.0315	0.178	37	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC){2|C<3>}	108.0247	0.431	34	108.0315	0.178	37	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a])	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[6a]){2|C<3>}	107.6360	0.000	1	107.6360	0.000	1	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCd)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCd){2|C<3>}	109.0370	1.249	2	109.0370	1.559	2	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPd)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPd){2|C<3>}	108.1670	0.000	1	108.1670	0.000	1	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPt)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SPt){2|C<3>}	107.6640	0.000	1	107.6640	0.000	1	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-2:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SS){2|C<3>}	107.5167	0.192	3	107.5167	0.037	3	108.0279	0.254	45	108.0273	0.349	51	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]N[5a])	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NMnC)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]N[5a]){1|Mn<6>,2|N<2>}	N[5a](N[5a]C[5a]2)(N[5a]N[5a]){1|N<2>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]N[5a])(NMnC){1|N<2>,1|N<3>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH){2|C<3>}	108.1660	0.000	1	108.1660	0.000	1	107.7813	0.301	10	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	107.5840	0.000	1	107.4128	0.331	5	107.7813	0.301	10	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	107.3700	0.655	4	107.4128	0.331	5	107.7813	0.301	10	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	108.0750	0.000	1	108.1457	0.010	4	107.7813	0.301	10	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	108.1693	0.109	3	108.1457	0.010	4	107.7813	0.301	10	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N[5]-3:	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2)	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(N[5]C[5]2){2|C<3>,2|C<4>,4|H<1>}	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]N[5a]N)(N[5a]N[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NHH){2|C<3>}	108.1550	0.000	1	108.1550	0.000	1	108.1550	0.000	1	107.8805	0.262	13	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CC[6a]HN){2|C<3>}	108.2400	0.188	2	108.2400	0.035	2	108.0978	0.057	6	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]CH){2|C<3>}	107.9305	0.240	2	107.9305	0.057	2	108.0978	0.057	6	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	107.9050	0.000	1	108.1230	0.095	2	108.0978	0.057	6	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(CN[6]HH){2|C<3>}	108.3410	0.000	1	108.1230	0.095	2	108.0978	0.057	6	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SBOO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SBOO){2|C<3>}	107.7290	0.000	1	107.7290	0.000	1	107.2675	0.124	12	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO){2|C<3>}	106.7710	0.000	1	107.2144	0.124	10	107.2675	0.124	12	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SCOO){2|C<3>}	107.2637	0.335	9	107.2144	0.124	10	107.2675	0.124	12	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:S-4:	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[5]OO)	N[5a](C[5a]N[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|S<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(SC[5]OO){2|C<3>}	107.3370	0.000	1	107.3370	0.000	1	107.2675	0.124	12	107.5443	0.259	18	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|S<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){4|C<3>}	110.8855	0.252	2	110.8855	0.064	2	110.9205	0.041	4	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|C<4>,3|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){1|N<2>,1|N<3>,2|C<3>}	111.1190	0.000	1	110.9555	0.053	2	110.9205	0.041	4	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]N[5a]){1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,2|N<2>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(H){2|C<3>,2|N<2>}	110.7920	0.000	1	110.9555	0.053	2	110.9205	0.041	4	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|C<4>,1|S<2>,2|H<1>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.5760	0.000	1	110.9620	0.298	2	110.9900	0.151	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	111.3480	0.000	1	110.9620	0.298	2	110.9900	0.151	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]H)(H){1|C<3>,1|N<3>}	111.0460	0.000	1	111.0460	0.000	1	110.9900	0.151	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a])	N[5a](N[5a]C[5a]2)(O[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(N[5a]O[5a]){1|C<4>,2|N<3>,2|O<1>}	N[5a](N[5a]C[5a]2)(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	115.1030	0.000	1	115.1030	0.000	1	115.1030	0.000	1	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:Br-1:	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br)	N[5a](C[5a]C[5a]Br)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Br<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(Br){4|C<3>}	109.9830	0.014	2	109.9830	0.000	2	109.9830	0.000	2	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|S<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	110.8100	0.000	1	110.3525	0.633	11	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	110.6895	0.028	2	110.3525	0.633	11	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<3>,3|C<3>}	110.2110	0.905	8	110.3525	0.633	11	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|F<1>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.0087	0.416	3	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.6735	0.519	14	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	110.7630	0.000	1	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.1810	0.153	9	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.0482	0.959	6	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.2410	0.623	3	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.6330	0.000	1	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.7680	0.494	2	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	111.2500	0.000	1	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.7780	0.008	2	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|Br<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	111.0685	0.202	2	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.0157	0.065	3	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	110.5314	0.248	16	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.2450	0.538	47	110.3639	0.282	110	110.3629	0.309	121	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	111.1130	0.297	7	110.8866	0.120	14	110.8866	0.120	14	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]N[5a]){2|F<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|I<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(I){4|C<3>}	110.6603	0.230	7	110.8866	0.120	14	110.8866	0.120	14	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.0387	0.486	4	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|F<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.8920	0.000	1	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.5227	0.155	3	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.4843	0.758	3	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.2845	0.411	31	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	109.8530	0.000	1	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.7790	0.000	1	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	111.2330	0.000	1	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(H){2|C<3>}	110.6254	0.274	17	110.4094	0.187	62	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	110.3360	0.660	2	110.5372	0.116	6	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	110.6520	0.116	2	110.5372	0.116	6	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|P<4>,3|C<3>}	110.6235	0.100	2	110.5372	0.116	6	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|H<1>,1|O<2>,3|C<3>}	110.9080	0.000	1	110.3347	0.283	6	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Se<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|O<2>,2|C<3>,2|C<4>}	110.5540	0.007	2	110.3347	0.283	6	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){1|N<3>,3|C<3>}	110.5480	0.000	1	110.3347	0.283	6	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(H){4|C<3>}	109.7220	0.441	2	110.3347	0.283	6	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	111.8930	0.000	1	112.2256	7.146	13	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	116.2955	0.192	2	112.2256	7.146	13	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	112.8443	2.573	3	112.2256	7.146	13	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(H){2|C<3>}	110.8451	2.031	7	112.2256	7.146	13	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	110.1380	0.000	1	110.1446	0.215	9	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	110.2620	0.359	2	110.1446	0.215	9	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(H){2|C<3>}	110.1065	0.557	6	110.1446	0.215	9	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|P<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P[5])(H){1|O<1>,4|C<3>}	110.4775	0.086	2	110.4775	0.007	2	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(H){2|C<3>}	110.6720	0.000	1	110.6720	0.000	1	110.6311	1.426	99	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]C)(O){2|C<3>}	110.6110	0.300	2	110.6110	0.090	2	110.6710	0.133	22	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a]H)(O){2|C<3>}	110.2947	0.217	3	110.2947	0.047	3	110.6710	0.133	22	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])2(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])2(O){4|C<3>}	110.7444	0.362	17	110.7444	0.131	17	110.6710	0.133	22	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	114.9880	0.000	1	115.1414	0.106	9	115.1414	0.106	9	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|C<2>,1|H<1>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	115.0080	0.000	1	115.1414	0.106	9	115.1414	0.106	9	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	115.3840	0.000	1	115.1414	0.106	9	115.1414	0.106	9	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	115.6150	0.000	1	115.1414	0.106	9	115.1414	0.106	9	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	115.4320	0.000	1	115.1414	0.106	9	115.1414	0.106	9	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	115.1660	0.000	1	115.1414	0.106	9	115.1414	0.106	9	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(H){2|C<3>}	114.8933	0.356	3	115.1414	0.106	9	115.1414	0.106	9	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H)	N[5a](C[6]C[6,6a]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[6])(H){4|C<3>}	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[5a,6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	110.4400	0.000	1	110.4400	0.000	1	110.3026	0.086	5	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){1|N<2>,3|C<3>}	110.3930	0.000	1	110.2682	0.107	4	110.3026	0.086	5	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(H){4|C<3>}	110.2267	0.387	3	110.2682	0.107	4	110.3026	0.086	5	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	110.9270	0.000	1	110.9270	0.000	1	110.7393	0.031	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[3])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	110.5790	0.000	1	110.5790	0.000	1	110.7393	0.031	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	110.7120	0.000	1	110.7120	0.000	1	110.7393	0.031	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]2)(H){1|N<2>,3|C<3>}	112.1530	0.000	1	112.1530	0.000	1	112.4800	0.083	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:1:	N[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H)	N[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a]N[5a])(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5a]N[5a]H)(N[5a]N[5a]2)(H){1|C<3>,1|N<2>}	112.6435	0.077	2	112.6435	0.006	2	112.4800	0.083	3	110.7082	1.421	287	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-2:	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN)	N[5a](C[5a]C[5a,6a]2)(C[5a]C[5a]C)(N[5a]N[5a]){1|N<3>,4|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<2>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]N[5a])(CN){4|C<3>}	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	108.6083	1.420	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](C[5a]C[5a]O[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){1|O<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>}	C[5a](C[5a]C[5a]O[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|H<1>,4|C<3>}	107.8740	0.000	1	107.8740	0.000	1	107.8740	0.000	1	108.6083	1.420	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a])	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(SC[5a]){2|C<3>}	110.0750	0.000	1	110.0750	0.000	1	110.0750	0.000	1	108.6083	1.420	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,4|C<3>}	108.5900	0.157	2	108.5900	0.025	2	108.5900	0.025	2	108.6083	1.420	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<2>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]N[5a])(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|N<2>,4|C<3>}	106.8210	0.000	1	106.8210	0.000	1	106.8210	0.000	1	108.6083	1.420	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[5a]N[5a])(C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a]){2|N<2>,6|C<3>}	110.5203	0.145	6	110.5203	0.021	6	110.5203	0.021	6	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCH){4|C<3>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,3|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]Si){1|H<1>,1|N<3>,4|C<3>}	110.4760	0.000	1	110.4760	0.000	1	109.8557	0.330	3	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|C<4>,2|N<2>,3|C<3>}	109.5455	0.288	2	109.5455	0.083	2	109.8557	0.330	3	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.0213	1.221	3	110.0213	1.492	3	110.0213	1.492	3	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	111.7900	0.000	1	111.2270	0.587	4	111.2270	0.587	4	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-3:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<3>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2){4|C<3>}	111.0393	0.818	3	111.2270	0.587	4	111.2270	0.587	4	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]N[5a]C){1|H<1>,5|C<3>}	110.8340	0.334	2	110.8340	0.111	2	110.8340	0.111	2	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCC)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCC){2|C<3>}	111.3480	0.448	2	111.3480	0.201	2	111.1291	0.330	9	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCH){2|C<3>}	111.7150	0.122	2	111.7150	0.015	2	111.1291	0.330	9	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(COO){2|C<3>}	110.3470	0.151	2	110.3470	0.023	2	111.1291	0.330	9	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CCH){2|C<3>}	111.3715	0.001	2	111.3715	0.000	2	111.1291	0.330	9	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CC[6a]O){2|C<3>}	110.5990	0.000	1	110.5990	0.000	1	111.1291	0.330	9	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.1820	0.093	2	111.0460	0.116	4	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.9100	0.515	2	111.0460	0.116	4	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){1|H<1>,5|C<3>}	110.5560	0.000	1	110.5923	0.372	3	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.6105	0.862	2	110.5923	0.372	3	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.0050	0.092	3	111.0050	0.008	3	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	111.7770	0.000	1	111.7770	0.000	1	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|P<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]P)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.7320	0.000	1	110.7320	0.000	1	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(C[6a]C[6a]2){2|H<1>,4|C<3>}	110.4410	0.000	1	110.4410	0.000	1	110.9174	0.210	13	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	111.1980	0.000	1	110.6937	0.781	3	110.6937	0.781	3	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(NHH){2|C<3>}	110.4415	1.087	2	110.6937	0.781	3	110.6937	0.781	3	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,1|S<2>,3|C<3>}	115.5990	0.000	1	115.5990	0.000	1	115.5990	0.000	1	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	C[6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|N<2>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])(C[5a]O[5a]O){1|H<1>,4|C<3>}	115.6160	0.000	1	115.6160	0.000	1	115.6160	0.000	1	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|H<1>,1|O<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO){2|C<3>}	115.2090	0.000	1	114.8191	0.064	16	114.8221	0.057	19	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CCO){2|C<3>}	114.7931	0.238	15	114.8191	0.064	16	114.8221	0.057	19	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CC[5a]O){2|C<3>}	114.9750	0.000	1	114.9750	0.000	1	114.8221	0.057	19	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHN){2|C<3>}	114.9040	0.000	1	114.9040	0.000	1	114.8221	0.057	19	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CHO){2|C<3>}	114.6360	0.000	1	114.6360	0.000	1	114.8221	0.057	19	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]O[5a]O){1|N<3>,2|H<1>,3|C<3>}	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C[6]-3:	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6]C[6]2){1|C<4>,3|C<3>,3|H<1>}	115.2240	0.000	1	115.2240	0.000	1	115.2240	0.000	1	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	115.4950	0.214	2	115.4950	0.046	2	115.4950	0.046	2	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[6]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	N[5a](C[5a]C[5a]C[6])(C[6a]C[6a]2)(N[5a]O[5a]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	115.0261	0.481	8	115.0261	0.232	8	115.0261	0.232	8	112.5938	4.724	77	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|C<4>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CCHH){1|C<3>,1|N<2>}	111.4140	0.000	1	111.4140	0.000	1	111.1727	0.061	3	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]2)(N[5a]C[5a])	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]N[5a]C)(CH3){1|C<3>,1|N<2>}	111.0520	0.185	2	111.0520	0.034	2	111.1727	0.061	3	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,1|O<2>,2|C<3>}	110.5722	0.370	4	110.7791	0.127	9	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]C[6a]N[5a])(CH3){1|N<2>,3|C<3>}	110.9446	0.274	5	110.7791	0.127	9	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CCHH){4|C<3>}	110.6390	0.000	1	110.6390	0.000	1	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[5a]2H){4|C<3>}	110.4650	0.000	1	110.4650	0.000	1	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CC[6a]HN){4|C<3>}	111.1350	0.000	1	111.1350	0.000	1	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CF3){4|C<3>}	109.7350	0.000	1	109.7350	0.000	1	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Cl<1>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CH3){4|C<3>}	111.7770	0.000	1	111.7770	0.000	1	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(CHHN){4|C<3>}	110.9080	0.000	1	110.9080	0.000	1	110.7781	0.241	15	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Cu){4|C<3>}	111.0787	0.668	3	111.0787	0.446	3	111.1453	0.376	9	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Mo){4|C<3>}	110.9440	0.000	1	110.9440	0.000	1	111.1453	0.376	9	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pd){4|C<3>}	110.9610	0.000	1	110.9610	0.000	1	111.1453	0.376	9	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Pt){4|C<3>}	110.1060	0.000	1	110.1060	0.000	1	111.1453	0.376	9	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2Ru){4|C<3>}	111.7595	0.202	2	111.7595	0.041	2	111.1453	0.376	9	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|P<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]C[6a]N[5a])(PC[6a]2W){4|C<3>}	111.5420	0.000	1	111.5420	0.000	1	111.1453	0.376	9	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|C<4>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CCHH){2|C<3>}	111.1120	0.000	1	111.1120	0.000	1	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|C<4>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	111.2250	0.000	1	111.0581	0.120	33	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	111.0529	0.350	32	111.0581	0.120	33	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){2|C<3>,2|C<4>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHHO){2|C<3>}	110.6450	0.000	1	110.6450	0.000	1	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[5])(CH3){1|C<4>,1|N<2>,2|C<3>}	111.4187	0.406	3	111.4187	0.165	3	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CHHN){2|C<3>}	110.6800	0.000	1	110.6800	0.000	1	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5]HH){2|C<3>}	110.5660	0.000	1	110.5660	0.000	1	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[5a]HH){2|C<3>}	110.6380	0.000	1	110.6380	0.000	1	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]H)(CN[6]HH){2|C<3>}	111.4277	0.060	3	111.4277	0.004	3	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){1|Si<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|Si<4>,1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]Si)(CCHH){2|C<3>}	111.1090	0.000	1	111.1090	0.000	1	111.0713	0.130	45	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C[3]-4:	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H)	N[5a](C[5a]C[5a]C[3])(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(C[3]C[3]2H){2|C<3>,4|H<1>}	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:P-4:	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu)	N[5a](C[5a]C[5a]P)(C[6a]C[6a]2)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|P<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C[6])(PC[6a]2Cu){1|C<4>,3|C<3>}	110.1520	0.000	1	110.1520	0.000	1	110.1520	0.000	1	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CF3){2|C<3>}	114.9070	0.000	1	114.9070	0.000	1	114.7920	0.026	2	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]O[5a]){1|O<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(CFFH){2|C<3>}	114.6770	0.000	1	114.6770	0.000	1	114.7920	0.026	2	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:Si-4:	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3){2|C<3>}	117.2760	0.000	1	117.0995	0.062	2	117.0995	0.062	2	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:O[5a]-2:	N[5a]-3:C[5a]-3:Si-4:	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a])	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3)	N[5a](C[5a]C[5a]Si)(C[6a]C[6a]2)(N[5a]O[5a]){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(O[5a]C[5a]){1|Si<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]O[5a]O)(SiC3){2|C<3>}	116.9230	0.000	1	117.0995	0.062	2	117.0995	0.062	2	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a])	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]C)(N[5a]N[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){2|C<3>}	111.2840	0.000	1	111.2840	0.000	1	111.2840	0.000	1	111.2572	1.444	79	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	3:4:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5]-4:N[5a]-2:	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a])	N[5a](C[5a]N[5a]C[5])(C[6a]C[6a]2)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]N[5]H)(N[5a]N[5a]){2|C<3>,2|H<1>,3|C<4>}	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	108.3510	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:2:	4:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[6]-4:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a])	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a])	N[5a](C[5a]N[5a]C[6])(C[6a]C[6a]2)(N[5a]N[5a]){1|N<3>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(N[5a]N[5a]){1|C<4>,2|C<3>}	C[5a](C[6]C[6,6a]N[6]H)(N[5a]C[6a]N[5a])(N[5a]N[5a]){1|C<4>,5|C<3>}	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<3>}	109.4030	0.000	1	109.4030	0.000	1	109.4730	0.162	10	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	109.5662	0.475	5	109.4808	0.181	9	109.4730	0.162	10	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a]S[5a])(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|S<2>}	109.3740	0.395	4	109.4808	0.181	9	109.4730	0.162	10	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a])	N[5a](C[5a]S[5a]C)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(S[5a]C[5a])(O)	N[5a](C[5a]C[5a]N[5a])(C[5a]S[5a]O)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](C[5a]S[5a]C)(N[5a]C[5a]2){1|C<3>,1|N<2>,1|O<1>}	C[5a](N[5a]C[5a]N[5a])(S[5a]C[5a])(O){1|N<2>,2|C<3>}	117.5750	0.000	1	117.5750	0.000	1	117.5750	0.000	1	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]O[5a])(N[5a]C[5a]C[6a]){1|O<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){3|C<3>}	111.5045	0.332	2	111.5045	0.110	2	111.5045	0.110	2	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<4>,2|C<3>}	108.6260	0.311	2	109.0696	0.206	5	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){3|C<3>}	109.3653	0.188	3	109.0696	0.206	5	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	108.8562	0.335	6	109.2608	0.346	50	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.2300	0.369	2	109.2608	0.346	50	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.8730	0.470	2	109.2608	0.346	50	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.3280	0.000	1	109.2608	0.346	50	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<3>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.6243	0.477	14	109.2608	0.346	50	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.1019	0.635	23	109.2608	0.346	50	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.1430	0.066	2	109.2608	0.346	50	109.2434	0.332	55	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	111.2940	0.000	1	111.6573	0.099	3	111.6573	0.099	3	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:O[5a]-2:O-1:	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C)	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O)	N[5a](C[5a]O[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]O[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(O[5a]C[5a])(O){1|C<4>,2|C<3>}	111.8390	0.016	2	111.6573	0.099	3	111.6573	0.099	3	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:S[5a]-2:O-1:	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C)	C[5a](N[5a]C[6a]N[5a])(S[5a]C[5a])(O)	N[5a](C[5a]S[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]S[5a]C){1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(S[5a]C[5a])(O){3|C<3>}	116.8770	0.202	2	116.8770	0.041	2	116.8770	0.041	2	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a,6a]2)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|H<1>,2|C<3>}	109.2050	0.000	1	109.2050	0.000	1	109.5106	0.209	8	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|N<2>}	109.5307	0.516	6	109.5307	0.266	6	109.5106	0.209	8	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H)	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(H){1|C<3>,1|H<1>,1|O<2>}	109.6960	0.000	1	109.6960	0.000	1	109.5106	0.209	8	109.7347	2.705	81	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:2:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-2:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){3|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NN){1|N<3>,2|N<2>}	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	109.8380	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a])	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]2)(C[5a]N[5a]N)(N[5a]C[5a]){1|N<2>,2|N<3>}	N[5a](C[5a]N[5a]N)(N[5a]C[5a]2){1|N<3>,2|N<2>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(NHH){1|N<3>,2|N<2>}	110.2140	0.000	1	110.2140	0.000	1	110.2140	0.000	1	109.1744	0.445	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H){3|C<3>}	109.2755	0.323	2	109.2755	0.104	2	108.8137	0.319	4	109.1744	0.445	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H){3|C<3>}	108.3520	0.000	2	108.3520	0.000	2	108.8137	0.319	4	109.1744	0.445	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){1|N<2>,2|C<3>}	109.5010	0.000	1	109.5010	0.000	1	109.3760	0.031	2	109.1744	0.445	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH)	N[5a](C[5a]N[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){3|N<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]N){1|N<3>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NHH){3|N<2>}	109.2510	0.000	1	109.2510	0.000	1	109.3760	0.031	2	109.1744	0.445	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3)	N[5a](C[5a]N[5a]S[5a])(C[5a]N[5a]C)(N[5a]C[5a]){3|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]2){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(N[5a]C[5a])(CH3){1|C<3>,1|N<2>,1|S<2>}	110.6180	0.000	1	110.6180	0.000	1	110.6180	0.000	1	110.3880	0.044	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:2:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH)	N[5a](C[5a]N[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(CC[6a]HH){1|H<1>,2|C<3>}	110.2730	0.095	2	110.2730	0.009	2	110.2730	0.009	2	110.3880	0.044	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6]C[5])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,2|C<3>,4|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	113.4220	0.000	1	113.4220	0.000	1	113.4220	0.000	1	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[5a]N[5a]2)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H){1|N<2>,2|N<3>}	114.0105	0.179	2	114.0105	0.032	2	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	112.4140	0.000	1	111.5920	0.423	4	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.4580	0.000	1	111.5920	0.423	4	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	111.2480	0.581	2	111.5920	0.423	4	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|C<3>,1|H<1>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,2|N<3>}	112.9440	0.000	1	112.9440	0.000	1	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|O<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	112.5960	0.000	1	112.5960	0.000	1	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|O<2>}	112.5420	0.000	1	112.5420	0.000	1	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]N[5a]O[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]2){1|N<2>,1|O<2>,2|H<1>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,1|N<2>,1|O<2>}	112.2090	0.000	1	112.2090	0.000	1	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]N[5a]S[5a])(C[5a]C[5a]H)(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|N<2>,1|S<2>}	112.8375	0.279	2	112.8375	0.078	2	112.5296	0.886	12	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]I)(N[5a]C[5a]){1|C<3>,1|I<1>,1|S<2>,3|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	111.6970	0.000	1	111.6970	0.000	1	111.6970	0.000	1	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5,5a,6]-3:N[5a]-3:	C[5,5a,6]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6])	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a])	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5,5a,6]H)(C[6a]C[6a]N[6a])(N[5a]C[5,5a,6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[5a]C[6a]){1|C<3>,1|H<1>,1|N<2>,4|C<4>}	C[5a](C[5,5a,6]C[5,5a,6]C[5,5,6])(N[5a]C[6a]N[5a])(H){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	112.4723	0.783	6	112.4723	0.613	6	112.4723	0.613	6	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(H){1|N<2>,4|C<3>}	111.2900	0.000	1	111.2900	0.000	1	111.2900	0.000	1	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(H){1|N<3>,4|C<3>}	111.8910	0.000	1	111.8910	0.000	1	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	111.0420	0.000	1	111.9224	0.283	22	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	111.7715	0.071	2	111.9224	0.283	22	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	111.3875	0.217	2	111.9224	0.283	22	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	112.0549	0.512	17	111.9224	0.283	22	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.6659	0.559	9	111.6583	0.234	12	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<4>,3|C<3>}	111.6357	0.188	3	111.6583	0.234	12	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(H){1|H<1>,5|C<3>}	111.7700	0.000	1	111.7700	0.000	1	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	111.7225	0.148	2	111.7503	0.068	7	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	111.7614	0.310	5	111.7503	0.068	7	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(H){3|C<3>}	111.2610	0.447	2	111.2610	0.200	2	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](C[5a]C[5a]N[5a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	111.6600	0.000	1	111.6600	0.000	1	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,2|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,2|N<2>}	112.1383	0.292	3	112.1383	0.085	3	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,2|N<2>}	111.4060	0.427	2	111.4060	0.182	2	111.7944	0.226	51	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	110.6429	0.604	14	110.6100	0.355	15	110.5623	0.308	18	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(Cl){1|C<4>,2|C<3>}	110.1490	0.000	1	110.6100	0.355	15	110.5623	0.308	18	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(Cl){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	110.5210	0.000	1	110.5210	0.000	1	110.5623	0.308	18	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.1560	0.000	1	110.1560	0.000	1	110.5623	0.308	18	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:Cl-1:	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl)	N[5a](C[5a]C[5a]Cl)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(Cl){1|H<1>,2|C<3>}	110.2950	0.000	1	110.2950	0.000	1	110.5623	0.308	18	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	111.7435	0.125	2	112.0276	0.085	5	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|O<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	112.2170	0.164	3	112.0276	0.085	5	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.9777	0.167	3	111.9777	0.028	3	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|Br<1>,2|C<3>}	112.3770	0.000	1	112.3770	0.000	1	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	111.8400	0.000	1	112.0649	0.148	9	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	112.2490	0.000	1	112.0649	0.148	9	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	111.4070	0.000	1	112.0649	0.148	9	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<4>,2|C<3>}	112.4240	0.000	1	112.0649	0.148	9	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){3|C<3>}	112.1328	0.358	5	112.0649	0.148	9	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	111.5040	0.106	2	111.5040	0.011	2	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	111.4337	0.419	3	111.4899	0.368	7	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	110.6010	0.000	1	111.4899	0.368	7	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	111.3540	0.000	1	111.4899	0.368	7	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	111.6840	0.000	1	111.4899	0.368	7	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	112.4890	0.000	1	111.4899	0.368	7	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	111.9350	0.000	1	111.9765	0.167	4	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|H<1>,2|C<3>}	111.9903	0.499	3	111.9765	0.167	4	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	111.9260	0.000	1	111.9260	0.000	1	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<6>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.4920	0.000	1	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.4150	0.000	1	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.3790	0.461	2	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.5488	0.650	13	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.1070	0.000	1	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.9030	0.000	1	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	110.9990	0.000	1	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.3359	0.846	17	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	112.7100	0.000	1	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	111.4305	0.025	2	111.4022	0.535	40	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|H<1>,2|C<3>}	112.2040	0.000	1	112.2040	0.000	1	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	112.8445	0.177	2	112.2127	0.379	12	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	112.2980	0.000	1	112.2127	0.379	12	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	112.4610	0.000	1	112.2127	0.379	12	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	111.9283	0.652	7	112.2127	0.379	12	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|C<3>}	112.6070	0.000	1	112.2127	0.379	12	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|O<2>,2|C<3>}	110.5990	0.000	1	110.5990	0.000	1	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|H<1>,2|N<2>}	112.7400	0.553	2	112.7400	0.306	2	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|N<2>}	111.9802	0.185	5	111.9802	0.034	5	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){2|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<3>,2|N<2>}	113.1800	0.000	1	113.1800	0.000	1	111.7479	0.491	94	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	111.2830	0.376	2	111.6047	0.381	3	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(I){3|C<3>}	112.2480	0.000	1	111.6047	0.381	3	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|S<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(I){1|C<2>,2|C<3>}	113.5820	0.000	1	113.5820	0.000	1	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<3>,1|I<1>,1|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	111.2200	0.000	1	111.4800	0.245	7	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|I<1>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	111.5940	0.290	2	111.4800	0.245	7	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	111.1280	0.000	1	111.4800	0.245	7	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|H<1>,2|I<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	112.3880	0.000	1	111.4800	0.245	7	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:I-1:	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I)	N[5a](C[5a]C[5a]I)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|I<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(I){1|H<1>,2|C<3>}	111.2180	0.457	2	111.4800	0.245	7	111.7051	0.614	11	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,3|C<3>}	C[5a](N[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(O){5|C<3>}	112.0680	0.000	1	112.0680	0.000	1	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<4>,2|C<3>}	112.5700	0.000	1	112.1000	0.194	3	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<4>,2|C<3>}	111.8650	0.236	2	112.1000	0.194	3	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O){1|C<4>,2|C<3>}	111.5143	0.232	3	111.5143	0.054	3	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<2>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O){1|C<4>,2|C<3>}	112.1470	0.451	2	112.0883	0.112	3	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]N)(O){1|C<4>,2|C<3>}	111.9710	0.000	1	112.0883	0.112	3	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O){1|C<4>,2|C<3>}	112.7440	0.000	1	112.7555	0.000	2	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|O<1>,1|S<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]S)(O){1|C<4>,2|C<3>}	112.7670	0.000	1	112.7555	0.000	2	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|C<4>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|H<1>,2|C<3>}	112.1535	0.213	2	110.4873	8.351	3	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|O<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|H<1>,2|C<3>}	107.1550	0.000	1	110.4873	8.351	3	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O)	N[5a](C[5a]N[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]H){1|H<1>,1|O<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]H)(O){1|H<1>,2|C<3>}	111.3430	0.000	1	111.3430	0.000	1	111.7182	1.690	16	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	112.1211	0.578	7	112.1211	0.334	7	112.1211	0.334	7	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	113.7973	0.131	3	113.7973	0.017	3	114.0146	0.058	13	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[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]N[5a])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|H<1>,4|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[6a]N[5a])(H){1|H<1>,1|N<2>,3|C<3>}	114.0798	0.231	10	114.0798	0.054	10	114.0146	0.058	13	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){2|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){3|C<3>}	111.7235	0.233	2	111.7235	0.054	2	111.8353	0.065	3	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	112.0590	0.000	1	112.0590	0.000	1	111.8353	0.065	3	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<4>,2|C<3>}	111.0260	0.127	4	111.0260	0.016	4	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	112.2550	0.000	1	112.2145	0.003	2	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|H<1>,2|C<3>,2|N<3>}	112.1740	0.000	1	112.2145	0.003	2	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a,6a]C[6a])(C[5a]C[5a]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){2|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|H<1>,2|C<3>}	112.0382	0.378	5	112.0382	0.143	5	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|C<4>,1|N<2>}	112.2490	0.000	1	112.2490	0.000	1	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|N<2>}	112.2900	0.000	1	112.6025	0.053	4	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|N<2>,2|C<3>}	112.7067	0.120	3	112.6025	0.053	4	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Br<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(H){1|C<3>,1|H<1>,1|N<2>}	112.4155	0.469	2	112.4155	0.220	2	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	112.9110	0.000	1	112.3517	0.324	3	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<2>}	111.7730	0.000	1	112.3517	0.324	3	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(H){1|C<3>,1|H<1>,1|N<3>}	112.3710	0.000	1	112.3517	0.324	3	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	112.1760	0.054	2	112.3873	0.135	3	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	112.8100	0.000	1	112.3873	0.135	3	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|Cl<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(H){1|C<3>,1|H<1>,1|N<2>}	112.6255	0.542	2	112.6255	0.294	2	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.7850	0.000	1	111.9965	0.119	59	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.6635	0.269	6	111.9965	0.119	59	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	112.0586	0.333	47	111.9965	0.119	59	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>}	111.9803	0.176	3	111.9965	0.119	59	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<2>}	111.6650	0.502	2	111.9965	0.119	59	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|I<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(H){1|C<3>,1|H<1>,1|N<2>}	112.6630	0.000	1	112.6630	0.000	1	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(H){1|C<3>,1|H<1>,1|N<2>}	112.7940	0.756	3	112.7940	0.572	3	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|N<2>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|N<2>,1|N<3>}	112.8592	0.115	6	112.8592	0.013	6	112.1229	0.245	95	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:1:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:O-1:	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O)	N[5a](C[6a]C[6a]N[6a])(C[5a]N[5a]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]C)(O){1|C<3>,1|C<4>,1|N<2>}	111.3950	0.000	1	111.3950	0.000	1	111.3950	0.000	1	111.9376	0.732	330	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|O<2>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	111.0235	0.608	6	111.0235	0.370	6	110.7943	0.584	8	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){3|C<3>}	110.8060	0.000	1	110.8060	0.000	1	110.7943	0.584	8	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OS)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|O<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OS){3|C<3>}	109.4070	0.000	1	109.4070	0.000	1	110.7943	0.584	8	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	109.5990	0.000	1	109.4269	0.307	13	109.4269	0.307	13	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,1|O<2>,5|C<3>}	109.2307	0.511	9	109.4269	0.307	13	109.4269	0.307	13	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	109.9583	0.433	3	109.4269	0.307	13	109.4269	0.307	13	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:N[5]-3:N[5a]-2:	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a])	N[5a](C[5a]N[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6a]){1|N<3>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5]C[5,6]C[5])(N[5a]C[5a]){1|C<4>,1|O<1>,1|O<2>,5|C<3>}	108.4590	0.000	1	108.4590	0.000	1	108.4590	0.000	1	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,2|Cl<1>,1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Br<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(NC){1|C<2>,2|C<3>}	113.7572	0.128	4	113.7572	0.016	4	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	111.8120	0.000	1	110.8975	1.673	2	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC){1|C<4>,2|C<3>}	109.9830	0.000	1	110.8975	1.673	2	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|Cl<1>,1|C<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Cl<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Cl)(NC){1|C<2>,2|C<3>}	113.3930	0.294	2	113.3930	0.087	2	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<4>,2|C<3>}	111.2692	0.345	4	112.7553	1.022	15	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC){1|C<2>,2|C<3>}	113.2956	0.436	11	112.7553	1.022	15	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NN){1|C<4>,2|C<3>}	111.4940	0.000	1	111.4940	0.000	1	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-2:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|I<1>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NN){1|C<4>,2|C<3>}	111.7120	0.000	1	111.7120	0.000	1	112.7258	1.271	25	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|O<2>,1|S<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	110.9900	0.000	1	110.9180	0.010	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){2|O<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){3|C<3>}	110.8460	0.000	1	110.9180	0.010	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(OC[6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	110.3265	0.066	2	110.3265	0.004	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OBa)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OBa){1|C<4>,2|C<3>}	113.0590	0.000	1	113.0590	0.000	1	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	110.6500	0.112	2	110.1074	0.422	9	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC){1|C<4>,2|C<3>}	109.9524	0.659	7	110.1074	0.422	9	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OC[6a]){1|C<4>,2|C<3>}	110.6371	0.440	11	110.6371	0.194	11	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCd){1|C<4>,2|C<3>}	111.9163	0.292	3	111.9163	0.085	3	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCo){1|C<4>,2|C<3>}	111.4824	0.383	9	111.4824	0.147	9	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OCu){1|C<4>,2|C<3>}	111.2537	0.512	3	111.2537	0.262	3	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OFe)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OFe){1|C<4>,2|C<3>}	110.4675	1.429	2	110.4675	2.042	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	110.0618	0.679	21	110.2142	0.612	24	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	112.0690	0.000	1	110.2142	0.612	24	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OH){1|C<4>,2|C<3>}	110.8875	0.128	2	110.2142	0.612	24	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OIr){1|C<4>,2|C<3>}	111.4008	0.843	4	111.4008	0.711	4	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OMo){1|C<4>,2|C<3>}	111.2775	0.620	6	111.2775	0.385	6	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ONi){1|C<4>,2|C<3>}	111.5086	0.425	7	111.5086	0.181	7	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORh)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORh){1|C<4>,2|C<3>}	111.8073	0.198	4	111.8073	0.039	4	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(ORu){1|C<4>,2|C<3>}	111.5466	0.440	20	111.5466	0.193	20	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OS){1|C<4>,2|C<3>}	110.2230	0.000	1	110.2230	0.000	1	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OSn)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OSn){1|C<4>,2|C<3>}	111.2790	0.000	1	111.2790	0.000	1	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(OZn){1|C<4>,2|C<3>}	111.9835	0.107	2	111.9835	0.011	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC){1|C<4>,1|N<3>,4|C<3>}	110.7725	0.030	2	110.7725	0.001	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a])	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(OC[6a]){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	109.8780	0.102	2	109.8780	0.010	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[6])(OC){1|H<1>,2|C<4>,3|C<3>}	110.5290	0.000	1	110.5290	0.000	1	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){1|C<4>,2|C<3>}	110.2932	0.403	5	110.4453	0.269	6	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OC){3|C<3>}	111.2060	0.000	1	110.4453	0.269	6	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){1|C<4>,2|C<3>}	110.3083	0.524	4	110.5508	0.500	5	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){3|C<3>}	111.5210	0.000	1	110.5508	0.500	5	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OCu)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OCu){1|C<4>,2|C<3>}	111.4470	0.595	2	111.4470	0.354	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OZn)	N[5a](C[5a]C[5a]O)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(OZn){1|C<4>,2|C<3>}	111.7940	0.117	2	111.7940	0.014	2	110.9439	0.700	131	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:S-2:	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a])	N[5a](C[5a]C[5a]S)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(SC[5a]){1|C<4>,2|C<3>}	111.6573	0.282	3	111.6573	0.080	3	111.6573	0.080	3	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:N[5a]-2:	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,4|C<3>}	109.6625	0.153	2	109.6625	0.024	2	109.6625	0.024	2	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-3:N[5a]-2:	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]2)(N[5a]C[5a])	N[5a](C[5a]N[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]N[5a]C){1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a]2)(N[5a]C[5a]){1|H<1>,1|N<2>,5|C<3>}	108.6530	0.000	1	108.6530	0.000	1	108.6530	0.000	1	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a,6]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:O-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6])	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a])	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(OH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a,6]O)(N[5a]C[5a,6]){1|H<1>,2|C<3>,2|C<4>}	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a]C[6a]){1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|H<1>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[6a]N[5a])(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	110.8140	0.000	1	110.8140	0.000	1	110.8140	0.000	1	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:2:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:O-2:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(OH){1|N<2>,2|C<3>}	111.1430	0.000	1	111.1430	0.000	1	111.1430	0.000	1	111.0433	1.370	186	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]S[5a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]2){1|H<1>,1|S<2>,4|C<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,4|C<3>}	111.6570	0.000	1	111.6570	0.000	1	111.7045	0.005	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]S[5a])(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,1|S<2>,2|C<3>,3|H<1>}	111.7520	0.000	1	111.7520	0.000	1	111.7045	0.005	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NOO)	N[5a](C[5a]C[5a]2)(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,5|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){2|C<3>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NOO){1|N<3>,2|C<3>}	111.2600	0.000	1	111.2600	0.000	1	112.6715	1.024	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|H<1>,2|N<2>,2|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){1|N<2>,3|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH){1|N<2>,2|N<3>}	113.6680	0.000	1	113.1420	0.208	3	112.6715	1.024	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2)	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(C[5a]N[5a]2)(N[5a]C[5a]){1|N<2>,3|N<3>}	N[5a](C[5a]C[5a]N)(N[5a]C[5a]2){2|N<2>,2|N<3>}	C[5a](N[5a]C[5a]N[5a])(C[5a]C[5a]N)(NHH){1|N<3>,2|N<2>}	112.8790	0.000	2	113.1420	0.208	3	112.6715	1.024	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|H<1>,1|N<3>,5|C<3>}	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){6|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){2|H<1>,7|C<3>}	112.0268	0.167	5	112.0268	0.028	5	112.0268	0.028	5	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){5|C<3>}	112.6960	0.000	1	112.0443	0.289	4	112.0443	0.289	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|N<3>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){5|C<3>}	111.8270	0.388	3	112.0443	0.289	4	112.0443	0.289	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCH){3|C<3>}	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){6|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.9390	0.000	1	112.9390	0.000	1	112.0680	0.231	26	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.5100	0.000	1	112.0048	0.202	21	112.0680	0.231	26	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,5|C<3>}	111.7360	0.000	1	112.0048	0.202	21	112.0680	0.231	26	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	111.4790	0.245	3	112.0048	0.202	21	112.0680	0.231	26	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.0886	0.421	16	112.0048	0.202	21	112.0680	0.231	26	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|S<4>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.1980	0.000	1	112.1980	0.000	1	112.0680	0.231	26	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){2|H<1>,5|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	112.1770	0.642	3	112.1770	0.412	3	112.0680	0.231	26	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){3|C<3>}	112.0910	0.000	1	111.9700	0.029	2	111.9700	0.029	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){3|C<3>}	111.8490	0.000	1	111.9700	0.029	2	111.9700	0.029	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a])	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[6a]N[5a]){1|C<4>,1|H<1>,6|C<3>}	112.7370	0.000	1	112.7370	0.000	1	112.7370	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]S[5a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	112.7510	0.000	1	112.7510	0.000	1	112.7510	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	112.5190	0.000	1	112.5190	0.000	1	112.4065	0.025	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[6]){1|C<2>,1|N<2>,4|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	112.2940	0.000	1	112.2940	0.000	1	112.4065	0.025	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(NHH){1|H<1>,4|C<3>}	111.7687	0.102	3	111.7687	0.010	3	111.7687	0.010	3	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[6a]-3:N[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](C[6a]C[6a,6a]C[6a])(N[5a]C[6a]N[5a])(C[5a]C[5a]H){2|H<1>,5|C<3>}	112.1250	0.000	1	112.1250	0.000	1	112.1250	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:B[5]-3:	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(B[5]O[5]2)	N[5a](C[5a]C[5a]B[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|B<3>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(B[5]O[5]2){2|C<3>,3|C<4>}	113.1240	0.000	1	113.1240	0.000	1	113.1240	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN[6]O)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CN[6]O){1|C<4>,2|C<3>}	111.3730	0.000	1	111.3730	0.000	1	111.5135	0.010	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){3|C<3>}	111.5140	0.000	1	111.5140	0.000	1	111.5135	0.010	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Pd)(CC[5a]H)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|Pd<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|Pd<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Pd)(CC[5a]H){3|C<3>}	111.5980	0.000	1	111.5980	0.000	1	111.5135	0.010	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(COO){1|H<1>,2|C<3>}	111.5690	0.000	1	111.5690	0.000	1	111.5135	0.010	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|C<4>,2|N<3>}	111.4610	0.638	4	111.6998	0.591	5	111.6998	0.591	5	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[5a]-3:	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]2)(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(C[5a]C[5a]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	112.6550	0.000	1	111.6998	0.591	5	111.6998	0.591	5	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.1537	0.260	3	112.1435	0.045	4	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|H<1>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	112.1130	0.000	1	112.1435	0.045	4	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.7870	0.232	3	112.6075	0.161	14	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|H<1>,1|S<2>,5|C<3>}	111.6770	0.000	1	112.6075	0.161	14	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	112.7680	0.112	2	112.6075	0.161	14	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.4667	0.266	3	112.6075	0.161	14	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,6|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.7062	0.422	5	112.6075	0.161	14	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	110.8890	0.000	1	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	111.5500	0.000	1	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	112.5430	0.000	1	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	112.2304	0.440	28	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	112.2880	0.318	2	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.6710	0.000	1	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	111.9390	0.000	1	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	112.5964	0.466	7	112.2570	0.249	42	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|S<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]2){2|H<1>,5|C<3>}	113.1260	0.000	1	113.1260	0.000	1	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Br<1>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|Br<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]Br)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	112.0060	0.000	1	112.0060	0.000	1	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<1>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	112.4630	0.000	1	112.8209	0.169	7	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	112.3540	0.000	1	112.8209	0.169	7	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	113.1240	0.648	2	112.8209	0.169	7	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	113.0590	0.000	1	112.8209	0.169	7	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){3|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){3|H<1>,4|C<3>}	112.8110	0.085	2	112.8209	0.169	7	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){3|H<1>,4|C<3>}	112.0425	0.298	4	112.0425	0.089	4	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){1|O<2>,3|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]O){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,4|C<3>}	111.3690	0.817	4	111.3690	0.667	4	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]N[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	111.5730	0.000	1	111.5730	0.000	1	112.3073	0.313	78	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(NHH){1|C<4>,4|C<3>}	110.7680	0.000	1	110.7680	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	111.7223	0.908	3	111.7223	0.825	3	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<4>,2|C<3>}	111.2590	0.000	1	111.2590	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	112.2850	0.595	2	111.7573	1.013	3	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<4>,2|C<3>}	110.7020	0.000	1	111.7573	1.013	3	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	111.6040	0.000	1	111.6040	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NHH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.1140	0.000	1	111.1140	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NAlC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NAlC){1|C<4>,2|C<3>}	111.1990	0.314	2	111.1990	0.099	2	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC){1|C<4>,2|C<3>}	110.9235	0.256	6	110.9235	0.066	6	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<2>,2|C<3>}	111.2890	0.102	2	111.8292	0.475	24	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	111.3186	0.340	10	111.8292	0.475	24	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	111.3410	0.198	2	111.8292	0.475	24	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<2>,2|C<3>}	112.5455	0.340	10	111.8292	0.475	24	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6]H){1|C<4>,2|C<3>}	110.4340	0.000	1	110.4340	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<2>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<2>,2|C<3>}	112.2740	0.000	1	111.7329	0.687	7	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<4>,2|C<3>}	111.2892	0.085	5	111.7329	0.687	7	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<2>,2|C<3>}	113.4100	0.000	1	111.7329	0.687	7	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHS)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHS){1|C<2>,2|C<3>}	112.6960	0.308	2	112.6960	0.095	2	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NSS)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NSS){1|C<2>,2|C<3>}	111.8550	0.000	1	111.8550	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|I<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|I<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]I)(NHH){1|C<2>,2|C<3>}	112.7040	0.000	1	112.7040	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH){1|C<4>,2|C<3>}	111.3760	0.052	2	111.3760	0.003	2	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|C<3>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N[5])(NHH){2|C<4>,3|C<3>}	112.5355	0.541	2	112.5355	0.293	2	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|S<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,1|S<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH){1|C<2>,2|C<3>}	113.2770	0.000	1	113.2770	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	112.1740	0.000	1	112.1740	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	111.0472	0.174	4	111.4753	0.414	7	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	112.6840	0.000	1	111.4753	0.414	7	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	111.9210	0.000	1	111.4753	0.414	7	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|C<3>}	111.5330	0.000	1	111.4753	0.414	7	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){2|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|H<1>,2|C<3>}	111.1740	0.000	1	111.1740	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]C[6a]2)(N[5a]C[5a]){1|S<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<3>,1|S<4>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]S)(NHH){1|H<1>,2|C<3>}	112.4740	0.000	1	112.4740	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){2|N<2>,2|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH){1|C<4>,1|N<2>,1|N<3>}	111.6360	0.000	1	111.2570	0.287	2	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NHH){1|C<4>,2|N<2>}	110.8780	0.000	1	111.2570	0.287	2	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(C[6a]N[6a]2)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<3>,1|N<3>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|H<1>,2|N<2>}	111.2690	0.000	1	111.2690	0.000	1	111.6746	0.549	72	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5]-3:	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|C<4>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	111.0720	0.000	1	111.4865	0.344	2	111.4865	0.344	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5]-3:	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2)	N[5a](C[5a]C[5a]N[5])(C[6a]C[6a]2)(N[5a]C[5a]){2|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5]C[5]2){1|C<2>,2|O<1>,4|C<3>}	111.9010	0.000	1	111.4865	0.344	2	111.4865	0.344	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|C<4>,2|H<1>,4|C<3>}	110.7400	0.195	4	110.7400	0.038	4	110.7724	0.034	5	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[5a]-3:	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2)	N[5a](C[5a]C[5a]N[5a])(C[6a]C[6a]2)(N[5a]C[5a]){1|S<2>,2|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]S){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]2){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	110.9020	0.000	1	110.9020	0.000	1	110.7724	0.034	5	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N[6]-3:	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2)	N[5a](C[5a]C[5a]N[6])(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,3|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<3>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(N[6]C[6]2){2|C<3>,3|C<4>,4|H<1>}	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[6a]-3:C[5a]-3:	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[6a])(C[6a]C[6a]2)(N[5a]C[5a]){4|C<3>,4|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|H<1>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6a]C[6a,6a]2)(C[5a]C[5a]H){1|H<1>,6|C<3>}	111.7000	0.358	2	111.7000	0.128	2	111.7000	0.128	2	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){3|C<3>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])2{1|C<4>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CHH){3|C<3>}	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P)	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P){2|H<1>,3|C<3>}	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|H<1>,6|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|H<1>,1|N<2>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,4|C<3>}	112.7770	0.000	1	112.7770	0.000	1	112.7770	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CNO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CNO){1|Br<1>,1|C<3>,1|N<2>}	111.7980	0.264	2	111.7980	0.070	2	111.9605	0.268	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Br<1>,1|Cl<1>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]Br){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|Br<1>,1|C<3>,1|N<2>}	112.6830	0.000	1	112.6830	0.000	1	111.9605	0.268	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(COO){1|C<3>,1|C<4>,1|N<2>}	111.5630	0.000	1	111.5630	0.000	1	111.9605	0.268	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C[6a]-3:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C[6a])(N[5a]C[5a]){1|C<4>,1|H<1>,5|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|H<1>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]2){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	111.5940	0.000	1	111.5940	0.000	1	111.5940	0.000	1	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<3>,1|C<4>,1|N<2>}	111.9860	0.000	1	111.9860	0.000	1	111.5658	0.103	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H){1|C<3>,1|C<4>,1|N<2>}	111.5920	0.000	1	111.5920	0.000	1	111.5658	0.103	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NHH){1|C<3>,1|C<4>,1|N<2>}	111.2180	0.000	1	111.2180	0.000	1	111.5658	0.103	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]N)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	111.4670	0.000	1	111.4670	0.000	1	111.5658	0.103	4	111.9857	0.505	235	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CC[5a]N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.2920	0.310	4	111.2920	0.096	4	111.2920	0.096	4	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){5|C<3>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|B<4>,2|C<3>,3|H<1>}	N[5a](C[5a]B[5,5]C[5a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|B<4>,2|C<3>}	112.3700	0.000	1	112.3700	0.000	1	112.4073	0.038	9	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	112.4608	0.122	5	112.4608	0.015	5	112.4073	0.038	9	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,4|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	112.3307	0.328	3	112.3307	0.107	3	112.4073	0.038	9	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[6a]N[5a])(CH3){1|C<4>,4|C<3>}	111.8510	0.000	1	111.8510	0.000	1	111.8510	0.000	1	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|N<3>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	113.0660	0.315	2	113.0660	0.099	2	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<4>,2|C<3>}	112.5523	0.452	3	112.7126	0.150	5	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){3|C<3>}	112.9530	0.003	2	112.7126	0.150	5	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){3|C<3>}	112.5030	0.000	1	112.5030	0.000	1	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	111.9555	0.210	2	111.9555	0.044	2	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|F<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|C<4>,2|C<3>}	112.7410	0.000	1	112.1082	0.239	6	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(CH3){1|C<4>,2|C<3>}	111.9816	0.422	5	112.1082	0.239	6	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C[5]){1|Fe<10>,1|H<1>,2|C<3>,3|C<4>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|C<3>}	112.2823	0.113	3	112.2823	0.013	3	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]2)(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	112.5170	0.000	1	112.5170	0.000	1	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CF3){1|H<1>,2|C<3>}	111.3570	0.000	1	111.3570	0.000	1	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]C[5a]){3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|H<1>,2|C<3>}	112.5180	0.000	1	112.5180	0.000	1	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	111.7710	0.000	1	111.8555	0.094	11	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	112.0220	0.155	3	111.8555	0.094	11	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]N[6a]2)(N[5a]C[5a]){1|C<4>,1|H<1>,2|N<2>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<4>,2|N<2>}	111.7963	0.360	7	111.8555	0.094	11	112.1942	0.257	33	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6a])2	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(C[6a]C[6a]2)(N[5a]N[5a]){2|C<4>,4|C<3>}	N[5a](N[5a]C[5a]C[6a])2{1|C<4>,5|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]N[5a]C)(CH3){3|C<3>}	114.9870	0.000	1	114.9870	0.000	1	114.9870	0.000	1	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	N[5a](C[5a]C[5a]C)(PC[5a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	111.0960	0.000	1	111.0960	0.000	1	111.0749	0.052	7	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3)	N[5a](C[5a]C[5a]C)(PC[6a]N[5a])(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CH3){1|C<4>}	110.9945	0.209	4	110.9945	0.044	4	111.0749	0.052	7	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CC3)	N[5a](C[5a]C[5a]C)(PN[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]P){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]P)(CC3){1|C<4>}	111.2250	0.330	2	111.2250	0.109	2	111.0749	0.052	7	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,1|O<2>,1|P<2>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	111.9830	0.000	1	112.1190	0.037	2	112.1493	0.021	3	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|Mn<6>,1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	112.2550	0.000	1	112.1190	0.037	2	112.1493	0.021	3	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3)	N[5a](C[6]N[6]P[6])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,1|P<2>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,1|P<2>}	112.2100	0.000	1	112.2100	0.000	1	112.1493	0.021	3	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CF3){1|N<2>,2|C<3>}	111.4330	0.000	1	111.4330	0.000	1	111.4330	0.000	1	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[5,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	111.9460	0.421	2	111.9460	0.178	2	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CCHH){1|C<3>,1|C<4>,1|N<2>}	112.0020	0.000	1	112.0020	0.000	1	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	111.8320	0.000	1	112.0230	0.073	2	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a,6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	112.2140	0.000	1	112.0230	0.073	2	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	111.2050	0.000	1	111.9129	0.441	8	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	112.6440	0.000	1	111.9129	0.441	8	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	111.9090	0.640	6	111.9129	0.441	8	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<2>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]H){1|C<4>,1|N<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(CH3){1|C<3>,1|H<1>,1|N<2>}	112.2760	0.000	1	112.2760	0.000	1	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:4:	C[6a]-3:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](C[6a]C[6a]N[6a])(C[5a]C[5a]C)(N[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(CH3){1|C<3>,1|N<2>,1|N<3>}	111.3210	0.000	1	111.3210	0.000	1	111.9227	0.275	15	112.0388	0.451	75	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:4:3:	C[5a]-3:C[6a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5]-4:C[5a]-3:	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C)	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H)	N[5a](C[5a]C[5a]C[5])(C[6a]C[6a]2)(N[5a]C[5a]){1|Fe<10>,1|N<3>,2|C<3>,2|H<1>,3|C<4>}	N[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[5]C[5]2Fe)(C[5a]C[5a]H){2|C<3>,2|H<1>,3|C<4>}	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	112.4910	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:2:1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[3])(N[5a]N[5a])	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2H)(N[5a]N[5a]){4|H<1>}	N[5a](N[5a]C[5a]C[3])(N[5a]N[5a]){2|C<4>,2|H<1>}	C[5a](N[5a]N[5a]C[3])(N[5a]N[5a])(H){1|H<1>,2|C<4>}	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	108.3200	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:2:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(NC[6]H){1|H<1>,2|C<4>}	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:2:4:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	107.8780	0.000	1	108.2380	0.259	2	108.3120	0.146	3	108.3120	0.146	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:2:4:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CCHH){1|H<1>,2|C<4>}	108.5980	0.000	1	108.2380	0.259	2	108.3120	0.146	3	108.3120	0.146	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:2:4:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](C[5a]N[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(CN[5]CH){1|H<1>,2|C<4>}	108.4600	0.000	1	108.4600	0.000	1	108.3120	0.146	3	108.3120	0.146	3	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2C)(N[5a]N[5a]){1|O<1>,2|H<1>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,4|C<3>}	110.5010	0.000	1	110.5010	0.000	1	110.5455	0.004	2	110.8127	0.201	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]N[5a]){1|O<2>,3|C<3>,3|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|H<1>,2|C<3>,2|C<4>}	110.5900	0.000	1	110.5900	0.000	1	110.5455	0.004	2	110.8127	0.201	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|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>}	110.9890	0.000	1	111.3245	0.225	2	111.0220	0.265	4	110.8127	0.201	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,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>}	111.6600	0.000	1	111.3245	0.225	2	111.0220	0.265	4	110.8127	0.201	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|P<4>,2|C<4>,2|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>}	110.7195	0.450	2	110.7195	0.203	2	111.0220	0.265	4	110.8127	0.201	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){2|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(H){1|H<1>,2|C<4>}	110.5100	0.000	1	110.5100	0.000	1	110.5100	0.000	1	110.8127	0.201	7	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-3:	N[5a](C[5a]C[5a]C)(C[6]C[6]2H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](N[5a]N[5a]C[6])(C[5a]N[5a]C)(COO){1|H<1>,2|C<4>}	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:4:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	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>}	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	108.1565	0.004	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:2:	3:4:2:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|H<1>,3|C<4>}	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>}	108.1990	0.000	1	108.1990	0.000	1	108.1990	0.000	1	108.1565	0.004	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:2:1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H)	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H)	N[5a](C[5a]N[5a]H)(C[3]C[3]2C)(N[5a]C[5a]){5|H<1>}	N[5a](N[5a]C[5a]C[3])(C[5a]N[5a]H){1|C<3>,1|H<1>,2|C<4>}	C[5a](N[5a]N[5a]C[3])(N[5a]C[5a])(H){1|C<3>,1|H<1>,2|C<4>}	108.7195	0.251	2	108.7195	0.063	2	108.7195	0.063	2	108.7195	0.063	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:B-4:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H)	N[5a](C[5a]C[5a]H)(BC[5]N[5]H)(N[5a]C[5a]){1|H<1>,1|I<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){1|H<1>,1|I<1>}	C[5a](C[5a]C[5a]I)(N[5a]N[5a]B)(H){1|H<1>}	109.6450	0.000	1	109.6450	0.000	1	109.6450	0.000	1	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C-4:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](C[5a]C[5a]H)(CC[6]2N[5])(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.9060	0.000	1	112.9060	0.000	1	112.9060	0.000	1	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[3]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[3])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[3]C[3]2H)(N[5a]C[5a]){1|C<3>,5|H<1>}	N[5a](N[5a]C[5a]C[3])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[3])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	111.9060	0.000	2	111.9060	0.000	2	111.9060	0.000	2	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	113.7580	0.629	2	113.7580	0.396	2	114.4673	0.873	4	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	114.8520	0.000	1	115.1765	0.211	2	114.4673	0.873	4	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5a]C[5a,6a]H)(C[5]C[5]O[5]H)(N[5a]C[5a,6a]){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>}	115.5010	0.000	1	115.1765	0.211	2	114.4673	0.873	4	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5a]C[5a]H)(C[5]C[5]2H)(N[5a]C[5a]){2|C<4>,6|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	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])	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]C[6])	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>}	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>}	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>}	112.4670	0.000	1	112.4670	0.000	1	112.4670	0.000	1	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,2|C<4>,2|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>}	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<3>,1|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>}	111.8920	0.000	1	112.0303	0.181	3	112.0303	0.181	3	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	112.5080	0.000	1	112.0303	0.181	3	112.0303	0.181	3	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:1:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5a]C[5a]H)(C[6]C[6]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	111.6910	0.000	1	112.0303	0.181	3	112.0303	0.181	3	112.6099	2.232	14	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:2:	C[5a]-3:C[6]-4:N[5a]-2:	C[5a]-3:N[5a]-3:	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])	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6])	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>}	N[5a](C[5a]C[6a]N[5a])(N[5a]C[5a]C[6]){1|H<1>,2|C<4>,3|C<3>}	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>}	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	109.4230	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:3:	C[5a]-3:C-4:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(CC[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.6555	0.394	2	112.6555	0.155	2	112.4663	0.196	4	112.1671	0.325	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:3:	C[5a]-3:C-4:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C)	N[5a](C[5a]C[5a]C[6a])(CC[6a]N[5a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]C){2|H<1>,3|C<3>}	112.2770	0.539	2	112.2770	0.290	2	112.4663	0.196	4	112.1671	0.325	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.1927	0.070	3	112.1927	0.005	3	112.2152	0.005	4	112.1671	0.325	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:3:	C[5a]-3:C[5]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH)	N[5a](C[5a]C[5a]N)(C[5]C[5]2H)(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	112.2830	0.000	1	112.2830	0.000	1	112.2152	0.005	4	112.1671	0.325	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:3:	C[5a]-3:C[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	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])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|H<1>,2|C<3>,2|C<4>}	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>}	112.7050	0.000	1	112.7050	0.000	1	112.7050	0.000	1	112.1671	0.325	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:3:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]N)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]C)(NHH)	N[5a](C[5a]C[5a]N)(P[6]O[6]2O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|C<4>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]N){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]C)(NHH){1|N<3>,1|O<1>,2|O<2>}	111.2035	0.368	2	111.2035	0.136	2	111.2035	0.136	2	112.1671	0.325	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:4:	C[5a]-3:C-4:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(CC[5]N[5]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.7545	0.490	2	112.7545	0.240	2	112.7545	0.240	2	110.5150	1.800	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:4:	C[5a]-3:P[6]-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(P[6]N[6]2O)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|O<1>,2|N<2>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|O<1>,2|N<2>}	111.3450	0.000	1	111.3450	0.000	1	111.3450	0.000	1	110.5150	1.800	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:4:	C[5a]-3:Si-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a])	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(SiC[6a]2Ni)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	109.4320	0.000	1	109.4320	0.000	1	109.8514	0.502	8	110.5150	1.800	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:4:	C[5a]-3:Si-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a])	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(SiC[6a]2Si)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	108.3010	0.000	1	108.3010	0.000	1	109.8514	0.502	8	110.5150	1.800	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	3:4:2:	3:3:	3:3:4:	C[5a]-3:Si-4:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a])	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C)	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3)	N[5a](C[5a]C[5a]C)(SiN[5a]2Sn)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](N[5a]C[5a]Si)(C[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](N[5a]N[5a]Si)(C[5a]C[5a]H)(CH3){1|C<4>}	110.1797	0.241	6	110.1797	0.058	6	109.8514	0.502	8	110.5150	1.800	11	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C)(N[5a]C[5a])	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	N[5a](CC[6a]2C[5])(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>}	N[5a](N[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|H<1>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a]C)(H)	110.3990	0.000	1	110.3990	0.000	1	110.3990	0.000	1	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,5]C[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	110.1440	0.000	1	110.1440	0.000	1	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){2|C<4>,3|C<3>}	110.7220	0.000	1	110.7220	0.000	1	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,1|O<1>,5|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|H<1>,4|C<3>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){5|C<3>}	111.1610	0.000	1	111.1610	0.000	1	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|C<3>,1|N<2>,2|C<4>}	110.9433	0.218	3	110.8531	0.061	8	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,1|N<2>,1|N<3>,2|C<4>}	110.5040	0.000	1	110.8531	0.061	8	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Fe<10>,2|C<3>,2|C<4>}	110.8727	0.246	4	110.8531	0.061	8	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]2Mn)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]2Mn)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|Mn<8>,1|C<3>,1|H<1>,2|C<4>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|Mn<8>,2|C<3>,2|C<4>}	110.9250	0.000	1	110.9250	0.000	1	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]N[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<4>,1|N<3>,4|C<3>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	110.9030	0.000	1	110.9030	0.000	1	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|C<3>,2|C<4>,2|H<1>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.3448	0.403	4	110.3448	0.163	4	110.7094	0.139	17	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|Fe<10>,1|H<1>,3|C<4>}	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|Fe<10>,2|C<4>}	109.9270	1.160	5	109.9270	1.347	5	110.0462	1.163	6	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H)	N[5a](C[5]C[5]O[5]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,1|O<2>,3|C<4>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|O<2>,2|C<4>,2|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(H){1|C<4>,1|H<1>,1|O<2>}	110.6420	0.000	1	110.6420	0.000	1	110.0462	1.163	6	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|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>}	110.1510	0.000	1	110.1510	0.000	1	110.7874	0.136	5	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,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>}	110.8870	0.000	1	110.8585	0.002	2	110.7874	0.136	5	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,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>}	110.8300	0.000	1	110.8585	0.002	2	110.7874	0.136	5	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<3>,2|C<4>,2|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>}	111.0345	0.083	2	111.0345	0.007	2	110.7874	0.136	5	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,2|C<3>,2|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>}	110.5150	0.000	1	110.5150	0.000	1	110.6383	0.583	12	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|O<2>,2|C<4>,2|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>}	110.6495	0.800	11	110.6495	0.639	11	110.6383	0.583	12	110.5935	0.432	41	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:2:	C[3x6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[3x6]C[5a])(N[5a]C[5a])	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>}	N[5a](N[5a]C[3x6]C[5a])(N[5a]C[5a]){1|C<2>,1|C<3>,3|C<4>}	C[5a](N[5a]C[3x6]N[5a])(C[5a]C[6a]N[5a])(CN){2|C<3>,3|C<4>}	109.7010	0.431	4	109.7010	0.186	4	109.7010	0.186	4	109.7010	0.186	4	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:P-3:	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]P)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]H)(PC[6a]2)	N[5a](C[5]C[5]2Fe)(C[5a]C[5a]P)(N[5a]N[5a]){2|H<1>,3|C<4>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|Fe<10>,1|H<1>,1|P<3>,2|C<4>}	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]H)(PC[6a]2){1|Fe<10>,2|C<4>}	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	110.8000	1.201	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]C[5a]){1|C<4>,1|H<1>,3|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>}	110.0250	0.000	1	110.0250	0.000	1	110.0250	0.000	1	110.8000	1.201	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:3:4:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:C-4:	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a])	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH)	N[5a](C[5]C[5,5]O[5]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](N[5a]C[5a]C[5])(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5a](N[5a]N[5a]C[5])(C[5a]N[5a]C)(CCHH){1|C<4>,1|H<1>,1|O<2>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:2:	3:4:2:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a])	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>}	N[5a](N[5a]C[5a]C[6])(N[5a]N[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	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>}	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	111.5460	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:2:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<4>,1|N<3>,2|C<3>}	109.6160	0.000	1	109.6160	0.000	1	110.1490	0.236	5	110.1490	0.236	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:2:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5,6a]C[5]N)(C[5a]N[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]H){1|H<1>,1|N<3>,2|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|H<1>,1|N<3>,2|C<3>}	109.6500	0.000	1	109.6500	0.000	1	110.1490	0.236	5	110.1490	0.236	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:2:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:H-1:	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]C){1|C<4>,1|O<2>,2|H<1>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.4930	0.166	3	110.4930	0.028	3	110.1490	0.236	5	110.1490	0.236	5	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:2:3:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-3:	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2)	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO)	N[5a](C[5]C[5]O[5]H)(C[5a]N[5a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	N[5a](N[5a]C[5a]C[5])(C[5a]N[5a]2){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a](N[5a]N[5a]C[5])(N[5a]C[5a])(COO){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	109.6080	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	109.2067	0.762	3	109.2067	0.581	3	109.9518	0.960	33	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C[5])(N[5a]C[5a]B){1|Fe<10>,2|C<4>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	109.7033	0.580	3	109.7033	0.336	3	109.9518	0.960	33	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BC[6a]N[5a]N[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	110.1910	0.194	2	110.1910	0.038	2	109.9518	0.960	33	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]2C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|C<4>}	109.0347	0.398	6	109.0347	0.158	6	109.9518	0.960	33	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]N[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	110.4583	0.945	18	110.4583	0.893	18	109.9518	0.960	33	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H)	N[5a](BN[5a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]B){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]B)(H){1|H<1>}	108.8420	0.000	1	108.8420	0.000	1	109.9518	0.960	33	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[5a]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]B[5a]C[5a])(C[5a]C[5a]H)	C[5a](N[5a]B[5a]N[5a])(C[5a]C[5a]H)(H)	N[5a](B[5a]N[5,5a]C[6a]N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|B<4>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5a](N[5a]B[5a]C[5a])(C[5a]C[5a]H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5a](N[5a]B[5a]N[5a])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,1|N<3>,1|N<4>}	110.4910	0.578	2	110.4910	0.335	2	110.4910	0.335	2	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6])	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,2|N<3>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]B[6]){2|C<3>,2|N<3>,3|H<1>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|C<3>,1|H<1>,2|N<3>}	110.3205	0.120	2	110.3205	0.014	2	110.3205	0.014	2	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2H)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){2|N<3>,3|H<1>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){2|H<1>,2|N<3>}	110.0190	0.143	2	110.0190	0.020	2	110.0561	0.763	8	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2N[5a])(C[5a]C[5a]H)(N[5a]C[5a]){1|N<2>,2|H<1>,2|N<3>,3|C<3>}	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){2|H<1>,3|N<3>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,3|N<3>}	109.7980	1.212	4	109.7980	1.469	4	110.0561	0.763	8	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	B[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H)	N[5a](B[6]N[5,6]2O)(C[5a]C[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>,2|N<3>}	N[5a](N[5a]C[5a]B[6])(C[5a]C[5a]H){1|O<2>,2|H<1>,2|N<3>}	C[5a](N[5a]N[5a]B[6])(C[5a]C[5a]H)(H){1|H<1>,1|O<2>,2|N<3>}	110.6095	0.185	2	110.6095	0.034	2	110.0561	0.763	8	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	113.7230	0.000	1	113.7230	0.000	1	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]2)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.6871	0.905	21	111.6871	0.819	21	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	111.9750	0.011	2	111.9750	0.000	2	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<4>}	111.8555	0.060	4	111.8555	0.004	4	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	112.0490	0.156	2	112.0490	0.024	2	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.1255	0.369	49	112.1255	0.136	49	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C){2|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|C<3>}	111.9770	0.190	2	111.9770	0.036	2	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	112.0195	0.299	2	112.0195	0.089	2	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:H-1:	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H)	N[5a](CN[5a]N[5]P)(C[5a]C[5a]H)(N[5a]C[5a]){2|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]C){2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(H){1|H<1>}	111.9126	0.540	8	111.9126	0.292	8	112.0007	0.345	91	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5a,6a]-3:N[5a]-3:	C[5a,6a]-3:N[5a]-3:H-1:	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a])	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5])	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H)	N[5a](C[5]C[3,5]O[5]H)(C[5a]C[5a,6a]H)(N[5a]C[5a,6a]){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a]C[5]){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]C[5])(H){1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|N<2>}	114.2533	0.042	3	114.2533	0.002	3	114.2533	0.002	3	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O){1|C<4>,2|C<3>,2|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|C<3>}	110.9175	0.499	2	110.9175	0.249	2	111.2260	0.544	5	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]C[5,6a]C[6a]C[5])(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]O){2|H<1>,3|C<3>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|O<2>,3|C<3>}	110.6400	0.000	1	110.6400	0.000	1	111.2260	0.544	5	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[5]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H)	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H)	N[5a](C[5]N[5a]C[5]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	N[5a](N[5a]C[5a]C[5])(C[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5a](N[5a]N[5a]C[5])(C[5a]C[5a]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.8275	0.818	2	111.8275	0.669	2	111.2260	0.544	5	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	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])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){2|C<4>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){2|C<4>,2|H<1>}	111.3730	0.000	1	111.3730	0.000	1	111.9955	0.775	2	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	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])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]H){1|C<4>,1|O<2>,3|H<1>}	C[5a](N[5a]N[5a]C[6])(C[5a]C[5a]H)(H){1|C<4>,1|O<2>,2|H<1>}	112.6180	0.000	1	112.6180	0.000	1	111.9955	0.775	2	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:1:	P[6]-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	N[5a]-3:C[5a]-3:H-1:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6])	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<2>,2|C<3>,2|P<4>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P[6]){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(H){1|C<3>,1|N<3>,2|N<2>}	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	111.4011	1.486	147	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	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])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]C)	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>}	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>}	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>}	112.1200	0.000	1	112.1200	0.000	1	112.1315	0.000	2	112.1315	0.000	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:3:	C[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	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])	N[5a](N[5a]C[5a]C[6])(C[5a]C[5a]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>}	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>}	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>}	112.1430	0.000	1	112.1430	0.000	1	112.1315	0.000	2	112.1315	0.000	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CC[5a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.3215	0.021	2	112.3215	0.000	2	112.2539	0.269	16	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CC[6a]N[5a]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.7055	0.202	2	111.7055	0.041	2	112.2539	0.269	16	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CC[6a]N[5a]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.1352	0.378	6	112.1352	0.143	6	112.2539	0.269	16	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CN[5a]C[6]C)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.7225	0.359	2	111.7225	0.129	2	112.2539	0.269	16	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	C-4:C[5a]-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](CN[5a]N[5]H)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	112.9380	0.086	4	112.9380	0.007	4	112.2539	0.269	16	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	N[5a](P[6]N[5]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|Co<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|P<4>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<2>,2|N<3>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<2>,2|N<3>}	110.6840	0.468	2	110.6840	0.219	2	111.1110	0.450	10	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|P<4>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	111.1148	0.951	4	111.2177	0.482	8	111.1110	0.450	10	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	4:3:2:	3:3:	3:3:4:	P[6]-4:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C)	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3)	N[5a](P[6]N[5a]N[6]2)(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[5a](N[5a]C[5a]P[6])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a](N[5a]N[5a]P[6])(C[5a]C[5a]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	111.3208	0.439	4	111.2177	0.482	8	111.1110	0.450	10	111.8143	0.645	26	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	5:3:2:	3:3:	3:3:1:	P[5]-5:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	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])	N[5a](N[5a]C[5a]P[5])(C[5a]C[5a]H)	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>}	N[5a](N[5a]C[5a]P[5])(C[5a]C[5a]H){1|N<3>,2|H<1>,3|O<2>}	C[5a](N[5a]N[5a]P[5])(C[5a]C[5a]H)(H){1|H<1>,1|N<3>,3|O<2>}	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	5:3:2:	3:3:	3:3:4:	Si[4,4]-5:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](Si[4,4]Si[4,4]N[4,5]2Cl)(C[5a]C[5a]C)(N[5a]C[5a]){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>,3|N<3>}	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Cl<1>,1|Si<5>,1|C<4>,1|H<1>,2|N<3>}	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3){1|Cl<1>,1|Si<5>,1|C<4>,2|N<3>}	109.7270	0.000	2	109.7270	0.000	2	109.8073	0.300	6	109.8073	0.300	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	5:3:2:	3:3:	3:3:4:	Si[4,4]-5:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:C[5a]-3:C-4:	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a])	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C)	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3)	N[5a](Si[4,4]Si[4,4]N[4,5]2N[5a])(C[5a]C[5a]C)(N[5a]C[5a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>,4|N<3>}	N[5a](N[5a]Si[4,4]C[5a])(C[5a]C[5a]C){1|Si<5>,1|C<4>,1|H<1>,3|N<3>}	C[5a](N[5a]Si[4,4]N[5a])(C[5a]C[5a]H)(CH3){1|Si<5>,1|C<4>,3|N<3>}	109.8475	0.703	4	109.8475	0.494	4	109.8073	0.300	6	109.8073	0.300	6	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	6:3:2:	3:2:	3:2:4:	B[5x3,4,9x5,6,6]-6:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	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])	N[5a](N[5a]B[5x3,4,9x5,6,6]C[5a])(N[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>}	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>}	C[5a](N[5a]B[5x3,4,9x5,6,6]N[5a])(N[5a]N[5a])(CC3){1|B<5>,4|B<6>}	106.7140	0.000	1	106.7140	0.000	1	106.7140	0.000	1	105.9870	1.057	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	6:3:2:	3:2:	3:2:4:	Si[5]-6:C[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:C-4:	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a])	N[5a](N[5a]C[5a]Si[5])(N[5a]N[5a])	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3)	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a]){2|N<2>,4|C<3>}	N[5a](N[5a]C[5a]Si[5])(N[5a]N[5a]){1|C<4>,2|N<2>,3|N<3>}	C[5a](N[5a]N[5a]Si[5])(N[5a]N[5a])(CH3){2|N<2>,3|N<3>}	105.2600	0.000	1	105.2600	0.000	1	105.2600	0.000	1	105.9870	1.057	2	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP2_SP2_SP2	N[5a]	N[5a]	C[5a]	8:3:2:	3:3:	3:2:4:	Nb[3x3]-8:C[5a]-3:N[5a]-2:	N[5a]-3:C[5a]-3:	N[5a]-3:N[5a]-2:C-4:	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a])	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C)	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3)	N[5a](Nb[3x3]N[3,5]6N[5a])(C[5a]N[5a]C)(N[5a]C[5a]){1|C<4>,1|N<2>,7|C<3>}	N[5a](N[5a]Nb[3x3]C[5a])(C[5a]N[5a]C){1|C<4>,7|N<3>}	C[5a](N[5a]Nb[3x3]N[5a])(N[5a]C[5a])(CH3){1|C<4>,7|N<3>}	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	106.7960	0.000	1	111.1084	2.941	4805	111.1103	3.132	6301
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a,6]	3:2:1:	3:3:	3:3:4:	C[5a,6]-3:N[5a]-2:H-1:	C[5a]-3:N[5a]-3:	C[5a,6]-3:N[5a]-3:C[6]-4:	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H)	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH)	N[5a](C[5a,6]C[5a,6]C[6])(N[5a]C[5a])(H){1|O<2>,2|C<4>,2|H<1>}	N[5a](C[5a]C[5a,6]O)(N[5a]C[5a,6]H){2|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	108.1960	0.000	1	109.5570	7.132	9
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a,6a]	3:2:4:	3:3:	3:3:3:	C[5a,6a]-3:N[5a]-2:C-4:	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])(N[5a]C[5a])(CCHH)	N[5a](C[5a]C[5a,6a]Pd)(N[5a]C[5a,6a]C)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]C)	N[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a])(CCHH){1|Pd<4>,1|H<1>,2|C<3>}	N[5a](C[5a]C[5a,6a]Pd)(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]N[5a]C){1|Pd<4>,1|C<3>,2|H<1>}	103.7610	0.000	1	103.7610	0.000	1	103.7610	0.000	1	103.7610	0.000	1	103.7610	0.000	1	109.5570	7.132	9
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:1:	3:2:	3:2:3:	C[5a]-3:N[5a]-2:H-1:	N[5a]-3:N[5a]-2:	N[5a]-3:N[5a]-2:N-3:	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a])	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	N[5a](C[5a]N[5a]N)(N[5a]N[5a])(H)	N[5a](N[5a]C[5a]H)(N[5a]N[5a]){1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NHN)	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	107.2820	0.000	1	110.5794	2.382	7	109.5570	7.132	9
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC[6a]H)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC[6a]H){1|C<3>}	110.2520	0.000	1	110.2520	0.000	1	110.8517	0.378	3	110.8517	0.378	3	110.5794	2.382	7	109.5570	7.132	9
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S)	C[5a](C[5a]C[5a]S)(N[5a]N[5a]S)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|S<2>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]S){1|N<3>,1|S<2>,2|C<3>}	C[5a](C[5a]C[5a]S)(N[5a]N[5a]S)(NHH){1|C<3>}	110.8230	0.000	1	110.8230	0.000	1	110.8517	0.378	3	110.8517	0.378	3	110.5794	2.382	7	109.5570	7.132	9
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:3:	C[5a]-3:N[5a]-2:S-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:N-3:	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO)	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH)	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(SC[6a]OO){1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]H)(N[5a]C[5a]S){1|C<3>,1|N<3>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]S)(NHH){1|H<1>}	111.4800	0.000	1	111.4800	0.000	1	110.8517	0.378	3	110.8517	0.378	3	110.5794	2.382	7	109.5570	7.132	9
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a]	3:2:4:	3:3:	3:3:4:	C[5a]-3:N[5a]-2:C-4:	C[5a]-3:N[5a]-3:	C[5a]-3:N[5a]-3:C-4:	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H)	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3)	N[5a](C[5a]C[5a]C)(N[5a]C[5a])(CN[5]2H){1|C<4>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]C[5a]C){1|C<4>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(CH3){1|C<4>}	111.6595	0.062	2	111.6595	0.004	2	111.6595	0.004	2	111.6595	0.004	2	110.5794	2.382	7	109.5570	7.132	9
813	519	727	5:SP3_SP2_SP2	N[5a]	N[5a]	C[5a]	3:3:2:	3:3:	3:3:3:	C[5a]-3:P-3:N[5a]-2:	C[5a]-3:N[5a]-3:	C[5a]-3:C[6a]-3:N[5a]-3:	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a])	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P)	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P)	N[5a](C[5a]C[5a]C[6a])(PN[5a]C[6])(N[5a]C[5a]){1|H<1>,3|C<3>}	N[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]P){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(C[6a]C[6a]2)(N[5a]N[5a]P){2|H<1>,3|C<3>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.5794	2.382	7	109.5570	7.132	9