856	643	770	0:SP2_SP2_SP2	N[6]	C[6,6a]	B	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:Cl-1:Cl-1:	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	B(N[6]C[6,6a]2)(Cl)2	N[6](C[6,6a]C[6,6a]C[6a])2(BCl2){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	B(N[6]C[6,6a]2)(Cl)2	118.6925	0.541	2	118.6925	0.293	2	118.6925	0.293	2	118.6925	0.293	2	121.9268	9.965	18	121.9268	9.965	18
856	643	770	0:SP2_SP2_SP2	N[6]	C[6,6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	B(N[6]C[6,6a]2)2(Cl)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	B(N[6]C[6,6a]2)2(Cl)	123.2428	0.803	4	121.1587	6.687	8	121.1587	6.687	8	121.1587	6.687	8	121.9268	9.965	18	121.9268	9.965	18
856	643	770	0:SP2_SP2_SP2	N[6]	C[6,6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	B(N[6]C[6,6a]2)2(Cl)	N[6](C[6,6a]C[6,6a]C[6a])2(BN[6]Cl){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){3|C<3>,3|H<1>}	B(N[6]C[6,6a]2)2(Cl)	119.0747	1.837	4	121.1587	6.687	8	121.1587	6.687	8	121.1587	6.687	8	121.9268	9.965	18	121.9268	9.965	18
856	643	770	0:SP2_SP2_SP2	N[6]	C[6,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	123.9348	2.673	4	123.9348	7.144	4	123.5035	10.967	8	123.5035	10.967	8	121.9268	9.965	18	121.9268	9.965	18
856	643	770	0:SP2_SP2_SP2	N[6]	C[6,6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:B-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H)	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	N[6](C[6,6a]C[6,6a]C[6a])2(BC[6a]2){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]B)(C[6a]C[6a]H){2|H<1>,3|C<3>}	B(N[6]C[6,6a]2)(C[6a]C[6a]2)2	123.0722	4.237	4	123.0722	17.950	4	123.5035	10.967	8	123.5035	10.967	8	121.9268	9.965	18	121.9268	9.965	18
856	643	786	0:SP2_SP2_SP3	N[6]	C[6a]	B[5,6]	4:3:3:	3:3:3:	3:3:3:2:	B[5,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:N[6]-3:O[6]-2:	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[5,6]C[6])(C[6a]C[6a]H)2	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a])	N[6](B[5,6]C[5,6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[6]B[5,6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	B[5,6](C[5,6a]C[5,6a]C[6a])2(N[6]C[6a]C[6])(O[6]C[6,6a]){3|H<1>,8|C<3>}	120.9670	2.001	3	120.9670	4.004	3	120.9670	4.004	3	120.9670	4.004	3	120.9670	4.004	3	120.9670	4.004	3
856	643	794	6:SP2_SP2_SPD5	N[3x6]	C[3x6,6a]	C[4,4,6,6]	3:5:4:	3:3:3:	4:4:3:1:1:	C[3x6,6a]-3:C[4,4,6,6]-5:C[6]-4:	C[6,6,6a]-3:N[3x6]-3:C[6,6a]-3:	C[3x4,6]-4:C[3x4,6]-4:N[3x6]-3:H-1:H-1:	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH)	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6])	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2	N[3x6](C[3x6,6a]C[6,6,6a]C[6,6a])(C[4,4,6,6]C[3x4,6]2HH)(C[6]C[6]HH){1|H<2>,2|C<3>,2|C<4>,4|H<1>}	C[3x6,6a](C[6,6,6a]C[4,4,6,6]C[6a])(N[3x6]C[4,4,6,6]C[6])(C[6,6a]C[6a,6a]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	C[4,4,6,6](C[3x4,6]C[4,4,6,6]H[4,4]H)2(N[3x6]C[3x6,6a]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1	120.9450	0.000	1
856	643	811	0:SP2_SP2_SP3	N[6]	C[6a]	B[6,6a]	4:3:2:	3:3:3:	3:3:3:3:	B[6,6a]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[6,6a]-3:N[6]-3:N[6]-3:	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	B[6,6a](N[5a,6a]B[5a,6a]C[5a])(N[6,6a]B[6,6a]C[6])(N[6]C[6a]N[6])2{2|N<2>,3|N<3>,7|C<3>}	122.5245	0.937	2	122.5245	0.878	2	122.5245	0.878	2	122.5245	0.878	2	122.5245	0.878	2	122.5245	0.878	2
856	643	818	0:SP2_SP2_SP2	N[6]	C[6,6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C[5]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[5]-3:Se[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H)	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5])	N[6](C[6,6a]C[6,6a]C[6a])2(C[5]Se[5]C[5]){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C[5])(C[6a]C[6a]H){1|Se<2>,2|H<1>,4|C<3>}	C[5](N[6]C[6,6a]2)(C[5]C[5]H)(Se[5]C[5]){1|H<1>,1|N<3>,4|C<3>}	117.8953	1.464	4	117.8953	2.143	4	117.8953	2.143	4	117.8953	2.143	4	117.8953	2.143	4	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6])	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6]){1|H<1>,1|P<3>,1|P<4>,2|C<3>,5|C<4>}	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]P[4,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	118.8860	0.000	1	118.8860	0.000	1	118.2230	0.879	2	118.2230	0.879	2	118.2230	0.879	2	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6,6]	3:3:2:	3:3:3:	3:4:3:	C[5,6,6]-3:C[6a]-3:Ge[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[5,5,6]-4:N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6])	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6])	N[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(Ge[6]C[6]){1|H<1>,1|P<3>,1|P<4>,2|C<3>,5|C<4>}	C[6a](N[6]C[5,6,6]Ge[6])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6,6](C[5,6,6]C[5,5,6]P[5,6])(C[5,5,6]C[5,5]C[5,6]H)(N[6]C[6a]Ge[6]){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	117.5600	0.000	1	117.5600	0.000	1	118.2230	0.879	2	118.2230	0.879	2	118.2230	0.879	2	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[6]-3:Se[5]-2:	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5])	N[6](C[5,6]C[5,6]Se[5])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|Se<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]N[6])(N[6]C[6a]C[6])(Se[5]C[5]){1|C<4>,1|S<2>,5|C<3>}	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	124.0750	0.000	1	124.0750	0.000	1	122.2437	3.221	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])2(C[6a]C[6a]2){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[5,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|H<1>,1|O<1>,7|C<3>}	121.3280	1.188	2	121.3280	1.411	2	122.2437	3.221	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	121.2010	0.000	1	120.3273	0.585	3	120.3273	0.585	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	119.7790	0.000	1	120.3273	0.585	3	120.3273	0.585	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:N[6]-3:C[5,6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[6]C[6,6]C[6a])(C[5,6]C[5]C[6]){1|H<1>,1|O<1>,2|C<4>,6|C<3>}	120.0020	0.000	1	120.3273	0.585	3	120.3273	0.585	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[5,6]-3:C[5]-3:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]N[5]O){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	120.6975	1.251	2	120.6975	1.565	2	120.6975	1.565	2	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O)	N[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	122.0950	0.000	1	122.0950	0.000	1	122.0950	0.000	1	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[5]-3:N[6]-3:	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6])	N[6](C[5,6]N[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]S){2|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(N[6]C[6a]C[6]){1|O<1>,1|S<1>,4|H<1>,5|C<3>}	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,6|C<4>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[3,5,6]C[6])(N[6]C[6a]C[6])(C[5]P[3,5]C){2|C<4>,2|O<1>,3|C<3>}	119.4370	0.000	1	119.4370	0.000	1	120.2867	0.841	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){5|C<3>,5|C<4>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]C[5]C){1|C<4>,2|O<1>,5|C<3>}	120.1640	0.000	1	120.1640	0.000	1	120.2867	0.841	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C)	N[6](C[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]O){1|P<4>,4|C<3>,5|C<4>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6a]C[6])(C[5]P[5]C){1|Au<2>,1|C<4>,2|O<1>,4|C<3>}	121.2590	0.000	1	121.2590	0.000	1	120.2867	0.841	3	120.9140	1.755	13	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[5,6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[5,6]-3:C[5]-4:	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2)	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH)	N[6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]C[5,6]2){1|C<4>,2|H<1>,4|C<3>}	C[5,6](N[6]C[5,6]C[6a])(C[5,6]C[5]C[6])(C[5]C[5]HH){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	120.2480	0.000	1	120.2480	0.000	1	120.2480	0.000	1	119.5233	0.689	3	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[5,6]-3:C[5]-4:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	119.7040	0.000	1	119.7040	0.000	1	119.1610	0.590	2	119.5233	0.689	3	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:3:3:	3:3:3:	3:3:4:	C[5,6]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[5,6]-3:C[5]-4:	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH)	N[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|S<4>,3|C<3>,3|C<4>,6|H<1>}	C[6a](N[6]C[5,6]C[6,6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[6]C[6,6]C[6a])(C[5,6]C[6]S[5])(C[5]C[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	118.6180	0.000	1	118.6180	0.000	1	119.1610	0.590	2	119.5233	0.689	3	120.7776	1.729	18	120.0843	3.106	24
856	643	818	0:SP2_SP2_SP2	N[6]	C[6a]	C[5,6]	3:4:3:	3:3:3:	3:3:3:	C[5,6]-3:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[5,6]-3:N[6]-3:C[5]-3:	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2	C[5,6](C[5,6]C[6]O[5])(N[6]C[6a]C[6])(C[5]C[5]H)	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){2|O<2>,4|H<1>,6|C<3>}	C[6a](N[6]C[5,6]C[6])(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[6]O[5])(N[6]C[6a]C[6])(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	120.7776	1.729	18	120.0843	3.106	24
856	643	818	6:SP2_SP2_SP2	N[6,6]	C[6,6a]	C[5,6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6,6]-3:C[6]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[5,6]-3:C[5,6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N)	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]N){1|C<2>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](N[6,6]C[5,6,6]C[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[5,6,6](N[6,6]C[6,6a]C[6])(C[5,6]C[5]C[6])(C[5,6]N[5]N[6]){1|N<2>,1|O<1>,5|C<3>}	116.4697	0.483	3	116.4697	0.233	3	116.4697	0.233	3	116.4697	0.233	3	116.4697	0.233	3	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])(N[6]C[6,6a]H){1|H<1>,1|O<1>,6|C<3>}	118.8230	0.000	1	118.8230	0.000	1	118.8230	0.000	1	120.1577	2.373	4	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[5,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:C[5,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O)	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O)	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O){3|C<3>,3|H<1>}	C[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5]C[6])(N[6]C[6,6a]O){4|C<3>,4|H<1>}	119.7395	0.523	2	119.7395	0.273	2	119.7395	0.273	2	120.1577	2.373	4	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	C[5,6a]-3:N[5,6]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]H)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(N[6]C[6,6a]H){1|H<1>,7|C<3>}	122.3290	0.000	1	122.3290	0.000	1	122.3290	0.000	1	120.1577	2.373	4	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	119.4650	0.000	1	119.4650	0.000	1	119.0863	0.110	3	119.6530	0.686	9	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	118.9460	0.000	1	118.9460	0.000	1	119.0863	0.110	3	119.6530	0.686	9	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	118.8480	0.000	1	118.8480	0.000	1	119.0863	0.110	3	119.6530	0.686	9	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	120.8370	0.000	1	120.8370	0.000	1	120.8975	0.007	2	119.6530	0.686	9	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:C[5]-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO){2|C<3>,6|H<1>}	120.9580	0.000	1	120.9580	0.000	1	120.8975	0.007	2	119.6530	0.686	9	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:C[5]-4:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,3|C<3>,3|H<1>}	119.7090	0.000	1	119.7090	0.000	1	119.4557	0.349	4	119.6530	0.686	9	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[6,6a]-3:C[5,6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[5,6]-3:N[6]-3:C[5]-4:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]O[5]HH){1|H<1>,1|O<1>,3|C<3>}	119.3713	0.693	3	119.3713	0.480	3	119.4557	0.349	4	119.6530	0.686	9	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	118.4865	0.284	2	118.5850	0.089	4	118.7207	0.112	6	118.5209	0.373	7	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	118.4110	0.000	1	118.5850	0.089	4	118.7207	0.112	6	118.5209	0.373	7	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){2|C<4>,4|C<3>}	118.9560	0.000	1	118.5850	0.089	4	118.7207	0.112	6	118.5209	0.373	7	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	118.9920	0.270	2	118.9920	0.073	2	118.7207	0.112	6	118.5209	0.373	7	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP2_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[6,6a]-3:C[5,6]-3:S-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[3,5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S)	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[3,5,6]N[5])(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]S){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[5,6a]C[3,6]C[3])(N[6]C[6,6a]S)(N[5]C[5,6a]){2|H<1>,5|C<3>}	117.3220	0.000	1	117.3220	0.000	1	117.3220	0.000	1	118.5209	0.373	7	119.3577	1.215	20	118.9810	2.060	23
856	643	818	6:SP3_SP2_SP2	N[6]	C[6,6a]	C[5,6]	3:3:4:	3:3:3:	4:3:2:	C[6,6a]-3:C[5,6]-3:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,6]-4:N[6]-3:N[5]-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1	117.6090	0.000	1
856	643	846	0:SP2_SP2_SP2	N[6]	C[6a]	C[4,6]	3:3:3:	3:3:3:	3:3:3:	C[4,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[4,6]-3:N[6]-3:C[4]-3:	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[4,6]C[6])(C[6a]C[6a]C)2	C[4,6](N[4,6]C[6]P[4])(N[6]C[6a]C[6])(C[4]P[4]C)	N[6](C[4,6]N[4,6]C[4])(C[6a]C[6a]2)(C[6]C[6]O){1|P<3>,3|C<3>,5|C<4>}	C[6a](N[6]C[4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[4,6](N[4,6]C[6]P[4])(N[6]C[6a]C[6])(C[4]P[4]C){1|C<4>,2|O<1>,3|C<3>}	120.7145	0.286	2	120.7145	0.082	2	120.7145	0.082	2	120.7145	0.082	2	120.7145	0.082	2	120.7145	0.082	2
856	643	847	0:SP2_SP2_SPD5	N[6]	C[6,6a]	Si	3:5:3:	3:3:3:	3:3:1:1:1:	C[6,6a]-3:Si-5:C[6]-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:Cl-1:Cl-1:Cl-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si)	Si(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Cl)3	N[6](C[6,6a]C[6a,6a]C[6,6a])(SiC[6a]Cl3)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]Si){3|H<1>,4|C<3>}	Si(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Cl)3	114.7300	0.000	1	114.7300	0.000	1	114.7300	0.000	1	114.7300	0.000	1	114.7300	0.000	1	114.7300	0.000	1
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6,6]	4:3:4:	3:3:2:	3:2:2:2:	P[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{2|H<1>,2|N<2>,3|C<3>,4|N<3>}	121.9720	0.000	1	120.2390	2.093	4	120.2390	2.093	4	120.2390	2.093	4	120.2390	2.093	4	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6,6]	4:3:4:	3:3:2:	3:2:2:2:	P[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	119.3840	1.346	2	120.2390	2.093	4	120.2390	2.093	4	120.2390	2.093	4	120.2390	2.093	4	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6,6]	4:3:4:	3:3:2:	3:2:2:2:	P[6,6]-4:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:O[6]-2:N[6]-2:N[6]-2:	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a])	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	C[6a](N[6]P[6,6]C[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	P[6,6](N[6]C[6a]C[6])(O[6]C[6,6a])(N[6]P[6])2{4|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	120.2160	0.000	1	120.2390	2.093	4	120.2390	2.093	4	120.2390	2.093	4	120.2390	2.093	4	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	3:4:3:	3:3:3:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:S-1:	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]P[6])(C[6a]C[6a]F)2	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	C[6a](N[6]C[6,6a]P[6])(C[6a]C[6a]F)2{1|S<1>,2|F<1>,5|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S){3|H<1>,8|C<3>}	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	120.4770	0.000	1	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	3:4:4:	3:3:2:	3:2:2:1:	C[6a]-3:C[6]-4:P[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:O[6]-2:O-2:O-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO){1|H<1>,4|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){1|N<2>,2|H<1>,3|C<3>}	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	119.0880	0.000	1	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	3:4:4:	3:3:2:	3:3:2:1:	C[6a]-3:P[6]-4:C[6]-4:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6a]-3:O[6]-2:O-1:	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a])	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O)	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH){1|H<1>,6|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(O){1|N<2>,4|H<1>,5|C<3>}	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	118.8250	0.000	1	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:2:	3:3:3:	3:3:3:3:	P[6]-4:C[6a]-3:Ga[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6])	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(Ga[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,4|H<1>,8|C<3>}	122.9725	0.268	2	122.9725	0.072	2	122.9725	0.072	2	123.5310	10.099	4	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:2:	3:3:3:	3:3:3:3:	P[6]-4:C[6a]-3:In[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(In[6]N[6])	C[6a](N[6]In[6]P[6])(C[6a]C[6a]C)2	P[6](N[6]C[6a]In[6])(C[6a]C[6a]2)2(C[6]P[6]H)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(In[6]N[6]){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]In[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,4|C<3>}	P[6](N[6]C[6a]In[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,4|H<1>,8|C<3>}	124.0895	5.383	2	124.0895	28.979	2	124.0895	28.979	2	123.5310	10.099	4	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:2:	3:3:3:	3:3:3:4:	P[6]-4:C[6a]-3:O[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6a](N[6]O[6]P[6])(C[6a]C[6a]H)2	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6]){1|C<4>,4|H<1>,8|C<3>}	C[6a](N[6]O[6]P[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]O[6])(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	133.2620	0.000	1	133.2620	0.000	1	133.2620	0.000	1	133.2620	0.000	1	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:3:	3:3:3:	3:2:1:1:	P[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:Cl-1:O-1:	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	P[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)(O)	N[6](P[6]O[6]ClO)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	P[6](N[6]C[6a]C[6])(O[6]C[6])(Cl)(O){1|C<4>,1|O<1>,3|C<3>}	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:3:	3:3:3:	3:3:3:2:	P[6]-4:C[6a]-3:B[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-2:	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6])	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]S){1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,1|S<1>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6]){1|N<3>,1|S<1>,4|H<1>,8|C<3>}	115.2405	0.257	2	115.2405	0.066	2	116.1472	1.147	4	116.1472	1.147	4	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:3:	3:3:3:	3:3:3:2:	P[6]-4:C[6a]-3:B[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-2:	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6])	N[6](P[6]C[6a]2N[6])(C[6a]C[6a]2)(B[6]N[6]Se){1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|Se<1>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(N[6]P[6]){1|Se<1>,1|N<3>,4|H<1>,8|C<3>}	117.0540	0.296	2	117.0540	0.087	2	116.1472	1.147	4	116.1472	1.147	4	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:4:	3:3:3:	3:2:2:1:	C[6]-4:C[6a]-3:P[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:O-2:O-1:	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO){2|H<1>,4|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|Cl<1>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	P[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC[6a])(O){2|H<1>,4|C<3>}	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:3:4:	3:3:3:	3:3:3:3:	P[6]-4:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl)	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH){1|Cl<1>,1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|N<3>,4|C<3>,4|H<1>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]Cl){1|N<3>,6|H<1>,8|C<3>}	121.8090	1.993	2	121.8090	3.971	2	121.8090	3.971	2	121.8090	3.971	2	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:4:3:	3:3:3:	3:3:2:1:	P[6]-4:C[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:O[6]-2:S-1:	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S)	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[6]C[6]P[6])(C[6a]C[6a]H)2{1|O<2>,1|S<1>,3|C<3>,4|H<1>}	P[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(S){4|H<1>,6|C<3>}	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:4:3:	3:3:3:	3:3:3:3:	B[6]-4:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){11|C<3>,1|P<3>,3|H<1>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]C[6]P){2|N<3>,4|H<1>,8|C<3>}	113.6680	0.000	1	113.6680	0.000	1	113.5710	0.194	3	115.5452	8.285	5	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:4:3:	3:3:3:	3:3:3:3:	B[6]-4:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]C)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){12|C<3>,1|P<4>,2|H<1>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	P[6](N[6]C[6a]B[6])(C[6a]C[6a]2)2(C[6]P[6]C){10|C<3>,1|N<3>,4|H<1>}	113.5225	0.612	2	113.5225	0.374	2	113.5710	0.194	3	115.5452	8.285	5	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	4:4:3:	3:3:3:	3:3:3:3:	P[6]-4:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H)	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|I<1>,4|C<3>}	P[6](N[6]C[6a]Ga[6])(C[6a]C[6a]2)2(C[6]P[6]H){1|N<3>,2|I<1>,4|H<1>,8|C<3>}	118.5065	1.876	2	118.5065	3.519	2	118.5065	3.519	2	115.5452	8.285	5	119.4693	20.576	24	119.5793	17.835	28
856	643	849	0:SP2_SP2_SP3	N[6]	C[6a]	P[6]	6:4:3:	3:3:3:	3:3:4:4:	Nb[5,6]-6:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C-4:C-4:	N[6](Nb[5,6]N[5,6]P[5]Cl2N)(P[6]C[6,6a]CC)(C[6a]C[6a]2)	C[6a](N[6]Nb[5,6]P[6])(C[6a]C[6a]H)2	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2	N[6](Nb[5,6]N[5,6]P[5]Cl2N)(P[6]C[6,6a]CC)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	C[6a](N[6]Nb[5,6]P[6])(C[6a]C[6a]H)2{2|Cl<1>,1|N<2>,1|N<3>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[5,6]C[6a])(CCCH)2{2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|P<4>,4|C<3>}	119.0220	2.524	2	119.0220	6.372	2	119.0220	6.372	2	119.0220	6.372	2	119.4693	20.576	24	119.5793	17.835	28
856	643	849	6:SP2_SP2_SP3	N[6]	C[6,6a]	P[6]	3:4:1:	3:3:3:	3:3:2:1:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6a])(O){1|H<1>,4|C<3>}	127.5707	0.835	3	127.5707	0.696	3	127.5707	0.696	3	127.6328	0.480	4	126.5886	5.811	5	126.5886	5.811	5
856	643	849	6:SP2_SP2_SP3	N[6]	C[6,6a]	P[6]	3:4:1:	3:3:3:	3:3:2:1:	C[6,6a]-3:P[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	C[6]-3:N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H)	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6])(O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H){5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	P[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(OC[6])(O){1|H<1>,4|C<3>}	127.8190	0.000	1	127.8190	0.000	1	127.8190	0.000	1	127.6328	0.480	4	126.5886	5.811	5	126.5886	5.811	5
856	643	849	6:SP2_SP2_SP3	N[6]	C[6,6a]	P[6]	3:4:3:	3:3:3:	3:3:3:1:	C[6,6a]-3:P[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:S-1:	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H)	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S)	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]S)(C[6a]C[6a]2){1|H<1>,2|F<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<1>,6|C<3>}	P[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(S){3|H<1>,8|C<3>}	122.4120	0.000	1	122.4120	0.000	1	122.4120	0.000	1	122.4120	0.000	1	126.5886	5.811	5	126.5886	5.811	5
856	643	855	0:SP2_SP2_SPD6	N[6]	C[6a]	Si[6,6]	6:3:3:	3:3:3:	3:3:2:2:2:2:	Si[6,6]-6:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:N-2:N-2:	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]H)2	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2	N[6](Si[6,6]N[6]O[6]2NN)(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	C[6a](N[6]Si[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>,2|O<2>}	Si[6,6](N[6]C[6a]C[6])2(O[6]C[6])2(NC)2{4|C<4>,6|C<3>}	118.8370	0.017	2	118.8370	0.000	2	118.8370	0.000	2	118.8370	0.000	2	118.8370	0.000	2	118.8370	0.000	2
856	643	855	6:SP2_SP2_SPD6	N[6]	C[6,6a]	Si[3x6]	3:6:4:	3:3:3:	3:3:3:2:2:2:	C[6,6a]-3:Si[3x6]-6:C-4:	C[6,6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:O[6]-2:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H)	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3	N[6](C[6,6a]C[6,6a,6a]C[6a])(Si[3x6]N[6]2O[6]3)(CCHH){1|H<1>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(N[6]Si[3x6]C)(C[6a]C[6a]H){1|H<1>,2|N<3>,3|C<3>,3|O<2>}	Si[3x6](N[6]C[6,6a]C)3(O[6]C[6,6a])3{9|C<3>}	123.1710	1.115	3	123.1710	1.242	3	123.1710	1.242	3	123.1710	1.242	3	123.1710	1.242	3	123.1710	1.242	3
856	643	856	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	116.3267	0.280	3	116.3267	0.280	3
856	643	856	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C-3:	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	N[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C){1|C<4>,3|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	116.7220	0.000	1	116.3267	0.280	3	116.3267	0.280	3
856	643	856	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:3:	3:3:2:	3:4:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-4:C-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HN)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(COO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	116.3267	0.280	3	116.3267	0.280	3
856	643	856	0:SP2_SP2_SP3	N[6,6]	C[6a]	N[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,3|C<4>,6|H<1>}	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,5|C<4>}	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	120.0800	0.000	1	120.0800	0.000	1	116.5690	24.654	2	116.5690	24.654	2	116.5690	24.654	2	116.1590	4.909	8
856	643	856	0:SP2_SP2_SP3	N[6,6]	C[6a]	N[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	113.0580	0.000	1	113.0580	0.000	1	116.5690	24.654	2	116.5690	24.654	2	116.5690	24.654	2	116.1590	4.909	8
856	643	856	0:SP2_SP2_SP3	N[6]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	114.4870	0.000	1	116.0223	1.852	6	116.1590	4.909	8
856	643	856	0:SP2_SP2_SP3	N[6]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C-4:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])(CC[6a]CH){1|N<3>,1|O<1>,4|C<3>}	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	116.2720	0.000	1	116.0223	1.852	6	116.1590	4.909	8
856	643	856	0:SP2_SP2_SP3	N[6]	C[6a]	N[6]	3:4:3:	3:3:2:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-4:H-1:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	116.0223	1.852	6	116.1590	4.909	8
856	643	856	0:SP2_SP2_SP3	N[6]	C[6a]	N[6]	3:4:3:	3:3:2:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:N[6a]-2:	C[6]-4:N[6]-3:C-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	116.0223	1.852	6	116.1590	4.909	8
856	643	856	0:SP2_SP2_SP3	N[6]	C[6a]	N[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	115.9985	0.033	2	115.9985	0.001	2	115.9985	0.001	2	115.9985	0.001	2	116.0223	1.852	6	116.1590	4.909	8
856	643	856	0:SP3_SP2_SP2	N[6,6]	C[6a]	N[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:C[6a]-3:N[6,6]-3:	C[6a,6a]-3:C[6a,6a]-3:N[6,6]-3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6,6]C[3x6]N[6,6])	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(C[6a]C[6a,6a]2)(N[6,6]C[3x6]C){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(N[6,6]C[3x6]N[6,6]){3|H<1>,4|C<4>,5|C<3>}	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	124.4570	0.000	1	124.4570	0.000	1	124.4570	0.000	1	121.5170	7.003	3	121.5170	7.003	3	119.7150	17.657	4
856	643	856	0:SP3_SP2_SP2	N[6,6]	C[6a]	N[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	120.0470	1.020	2	120.0470	1.040	2	120.0470	1.040	2	121.5170	7.003	3	121.5170	7.003	3	119.7150	17.657	4
856	643	856	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6]-3:	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	114.3090	0.000	1	119.7150	17.657	4
856	643	856	0:SP3_SP2_SP3	N[6,6]	C[6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6,6a](N[6,6]C[6,6,6a]N[6,6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	116.0265	0.919	2	116.0265	0.844	2	116.0265	0.844	2	116.0265	0.844	2	116.0265	0.844	2	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6,6]	C[6a]	N[6,6]	4:3:3:	3:3:3:	3:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:C[3x6]-4:C-4:	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3)	N[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2){2|C<3>,2|C<4>,7|H<1>}	C[6a](N[6,6]C[3x6]N[6,6])(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	N[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(CC3){2|C<3>,2|C<4>,5|H<1>}	115.6145	4.598	2	115.6145	21.145	2	115.6145	21.145	2	115.6145	21.145	2	115.6145	21.145	2	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:	B[6,6a]-3:N[6]-3:C[6a]-3:	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(N[6]N[6]2)	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]N[6]2){1|B<3>,2|H<1>,3|C<3>}	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[6a]-3:C[6]-3:N[6]-3:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6a]-3:C[6]-4:	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	114.8900	0.000	1	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:2:	B[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:N[6]-2:	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:3:4:	3:3:3:	3:3:3:	N[6]-3:C[6a]-3:C[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-3:	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HO){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<2>,2|H<1>,6|C<3>}	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	115.3280	0.000	1	115.4580	0.034	2	115.4580	0.034	2	115.4580	0.034	2	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:H-1:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	115.5880	0.000	1	115.4580	0.034	2	115.4580	0.034	2	115.4580	0.034	2	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-4:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){3|C<3>,5|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,2|H<1>,3|C<3>}	114.8785	2.324	2	114.8785	5.402	2	114.8785	5.402	2	114.8785	5.402	2	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	3:4:3:	3:3:3:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C-3:	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	N[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,3|C<3>,5|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	118.0070	0.075	2	118.0070	0.006	2	118.0070	0.006	2	118.0070	0.006	2	115.7804	6.266	11	115.7911	6.059	15
856	643	856	0:SP3_SP2_SP3	N[6]	C[6a]	N[6]	4:3:3:	3:3:3:	3:3:4:	B[6]-4:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:C-4:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|N<2>,2|H<1>,8|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])(CC[6a]HH){1|N<3>,6|C<3>}	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	110.4370	0.000	1	115.7804	6.266	11	115.7911	6.059	15
856	643	856	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H)	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]H)(C[6]C[6]O)(COO){1|C<4>,1|H<1>,2|C<3>}	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1	113.5420	0.000	1
856	643	856	6:SP3_SP2_SP3	N[6,6]	C[6,6,6a]	N[6,6]	3:3:3:	3:3:3:	3:3:3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	N[6,6]-3:C[6,6a]-3:C[6,6,6a]-3:	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6])	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]N[6,6])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	N[6,6](N[6,6]C[6,6,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2){1|C<4>,1|H<1>,8|C<3>}	119.0865	0.902	2	119.0865	0.813	2	119.0865	0.813	2	119.0865	0.813	2	119.0865	0.813	2	119.0865	0.813	2
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){1|N<2>,2|C<3>,2|H<1>}	O(N[6]C[6,6a]N[6])	117.7695	0.050	2	117.6540	0.041	3	117.8252	0.510	6	117.8252	0.510	6	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){2|H<1>,3|C<3>}	O(N[6]C[6,6a]N[6])	117.4230	0.000	1	117.6540	0.041	3	117.8252	0.510	6	117.8252	0.510	6	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|H<1>,1|O<2>,2|C<3>}	O(N[6]C[6,6a]N[6])	119.2000	0.000	1	117.9963	1.145	3	117.8252	0.510	6	117.8252	0.510	6	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	O(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	O(N[6]C[6,6a]N[6])	117.3945	0.342	2	117.9963	1.145	3	117.8252	0.510	6	117.8252	0.510	6	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O)	O(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[5,6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[5,6])	122.4590	0.679	2	122.4590	0.461	2	122.4590	0.461	2	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	O(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(N[6]C[6,6a]2)	119.0865	0.086	2	119.2859	0.238	12	119.3788	0.258	14	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	O(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(N[6]C[6,6a]2)	120.0445	0.441	2	119.2859	0.238	12	119.3788	0.258	14	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	O(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	O(N[6]C[6,6a]2)	118.9188	0.283	4	119.2859	0.238	12	119.3788	0.258	14	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	O(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,4|C<3>}	O(N[6]C[6,6a]2)	119.4475	0.579	2	119.2859	0.238	12	119.3788	0.258	14	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	O(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(N[6]C[6,6a]2)	119.2995	0.135	2	119.2859	0.238	12	119.3788	0.258	14	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H)	O(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(N[6]C[6,6a]2)	119.9360	0.096	2	119.9360	0.009	2	119.3788	0.258	14	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	O(N[6]C[6,6a]C[6])	117.2920	0.000	1	117.2920	0.000	1	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,3|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(N[6]C[6,6a]C[6])	119.8365	0.655	2	120.1090	0.310	4	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	O(N[6]C[6,6a]C[6])	120.3815	0.452	2	120.1090	0.310	4	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	118.2450	0.000	1	118.2450	0.000	1	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	117.8900	0.628	2	117.8900	0.394	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(O){1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	120.2790	0.000	1	120.2790	0.000	1	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(N[6]C[6,6a]C[6])	119.1070	0.000	1	118.1505	1.830	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	117.1940	0.000	1	118.1505	1.830	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	119.9730	0.000	1	118.8679	0.421	8	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(N[6]C[6,6a]C[6])	117.9840	0.000	1	118.8679	0.421	8	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,2|H<1>}	O(N[6]C[6,6a]C[6])	119.2300	0.380	2	118.8679	0.421	8	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(N[6]C[6,6a]C[6])	118.9090	0.000	1	118.8679	0.421	8	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(N[6]C[6,6a]C[6])	118.5390	0.324	3	118.8679	0.421	8	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]O){4|C<3>,4|H<1>}	O(N[6]C[6,6a]C[6])	119.9785	0.556	2	119.9785	0.310	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]O){2|C<3>,4|H<1>}	O(N[6]C[6,6a]C[6])	118.5020	0.074	2	118.5020	0.005	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	O(N[6]C[6,6a]C[6])	118.5450	0.000	1	118.9188	0.219	17	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	118.4320	0.000	1	118.9188	0.219	17	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|Cl<1>,1|S<2>,2|C<3>,2|H<1>}	O(N[6]C[6,6a]C[6])	118.8070	0.000	1	118.9188	0.219	17	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	119.3305	0.630	2	118.9188	0.219	17	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,4|H<1>}	O(N[6]C[6,6a]C[6])	118.9154	0.485	11	118.9188	0.219	17	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	119.1060	0.000	1	118.9188	0.219	17	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]O){2|C<3>,4|H<1>}	O(N[6]C[6,6a]C[6])	119.9990	0.000	1	119.9990	0.000	1	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){2|C<3>,4|H<1>}	O(N[6]C[6,6a]C[6])	120.5393	1.157	3	120.5393	1.339	3	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]O){2|C<3>,4|H<1>}	O(N[6]C[6,6a]C[6])	120.0400	0.000	1	120.0400	0.000	1	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	119.2480	0.000	1	119.5448	0.066	5	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	119.6190	0.226	4	119.5448	0.066	5	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	119.6210	0.000	1	119.3330	0.166	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	119.0450	0.000	1	119.3330	0.166	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	O(N[6]C[6,6a]C[6])	119.3200	0.000	1	119.3200	0.000	1	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	117.8270	0.014	2	117.8270	0.000	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]O){3|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])	120.3320	0.000	1	120.3320	0.000	1	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,3|C<3>}	O(N[6]C[6,6a]C[6])	118.9520	0.000	1	119.0645	0.025	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	O(N[6]C[6,6a]C[6])	119.1770	0.000	1	119.0645	0.025	2	119.1265	0.777	58	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O)	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]O){2|H<1>,6|C<3>}	O(N[6]C[6,6a]C[6])	117.8100	0.000	1	117.8100	0.000	1	117.8100	0.000	1	119.2449	0.971	75	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	O(N[6]C[6,6a]C[6])	119.7320	0.000	1	119.7320	0.000	1	120.1186	0.211	5	120.1186	0.211	5	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<2>,2|H<1>,4|C<3>}	O(N[6]C[6,6a]C[6])	119.6680	0.000	1	119.6680	0.000	1	120.1186	0.211	5	120.1186	0.211	5	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){2|H<1>,5|C<3>}	O(N[6]C[6,6a]C[6])	119.9840	0.000	1	119.9840	0.000	1	120.1186	0.211	5	120.1186	0.211	5	119.1967	1.070	86	119.1967	1.070	86
856	643	863	0:SP2_SP2_SP2	N[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(O){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,1|O<2>,4|C<4>}	O(N[6]C[6,6a]C[6])	120.6045	0.036	2	120.6045	0.001	2	120.1186	0.211	5	120.1186	0.211	5	119.1967	1.070	86	119.1967	1.070	86
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[3x6]	3:4:3:	3:3:3:	3:4:4:4:	C[6,6a]-3:B[3x6]-4:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6])	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H)	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[3x6]C[6,6]2C[6])(C[6,6]C[6,6a]C[6]){1|N<3>,4|C<3>,5|C<4>,5|H<1>}	C[6,6a](C[6,6a]N[6,6a]C[6])(N[6,6]B[3x6]C[6,6])(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>,3|C<4>}	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	125.5860	0.000	1	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,3|C<3>}	120.2326	0.593	14	120.2326	0.352	14	120.0641	0.326	21	120.0641	0.326	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,2|C<3>,2|N<2>}	119.4783	0.006	3	119.7271	0.125	7	120.0641	0.326	21	120.0641	0.326	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	119.9667	0.442	3	119.7271	0.125	7	120.0641	0.326	21	120.0641	0.326	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:2:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-2:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a])	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]){1|N<2>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{2|N<2>,3|C<3>}	119.7550	0.000	1	119.7271	0.125	7	120.0641	0.326	21	120.0641	0.326	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6])(F)2{5|C<3>}	118.2035	0.853	2	118.2035	0.728	2	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	119.1933	0.228	3	119.1933	0.052	3	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]O[6]FF){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6,6a])(F)2{5|C<3>}	118.2360	0.000	1	118.2360	0.000	1	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	120.3145	0.287	6	120.3145	0.082	6	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	119.8410	0.069	2	120.3375	0.875	6	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	119.6505	0.018	2	120.3375	0.875	6	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]O[6]FF){1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{5|C<3>}	121.5210	0.365	2	120.3375	0.875	6	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|N<2>,4|C<3>}	120.8740	0.000	1	120.8740	0.000	1	119.8426	1.039	19	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:N[6a]-3:	N[6,6]-3:O[6]-2:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]N[6])(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(N[6a]C[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(O[6]C[6])(F)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	122.7850	0.000	2	122.7850	0.000	2	122.7850	0.000	2	120.1228	1.719	21	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[5,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[5,6]FF){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|N<2>,1|O<1>,5|C<3>}	118.9347	0.605	3	118.9347	0.366	3	118.9347	0.366	3	118.7881	0.714	8	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF)	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(B[6]N[6,6]FF){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6,6]C[6,6]C[6])(F)2{1|H<1>,6|C<3>}	116.9940	0.000	1	116.9940	0.000	1	118.4933	1.687	3	118.7881	0.714	8	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6,6]FF){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{1|N<2>,6|C<3>}	119.2430	0.041	2	119.2430	0.002	2	118.4933	1.687	3	118.7881	0.714	8	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(B[6]N[6]FF){1|C<2>,1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	118.5260	0.000	1	118.5260	0.000	1	119.0105	0.469	2	118.7881	0.714	8	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6,6a]-3:C[6,6]-3:B[6]-4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6])(B[6]N[6]FF){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	119.4950	0.000	1	119.4950	0.000	1	119.0105	0.469	2	118.7881	0.714	8	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[5,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[5,6]C[5,6]C[5])(F)2{1|O<1>,6|C<3>}	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	118.5183	0.025	3	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6,6]	C[6,6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6,6]-3:	C[6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:N[6,6]-3:F-1:F-1:	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H)	B[6](N[6,6]C[6,6a]C[6,6])2(F)2	N[6,6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(C[6,6]C[6]2){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6,6]C[6,6]B[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])2(F)2{7|C<3>}	118.5940	0.122	2	118.5940	0.015	2	118.5940	0.015	2	118.5183	0.025	3	119.8073	1.206	53	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[3x6]	4:3:3:	3:3:3:	3:4:4:2:	B[3x6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6,6]-4:C[6,6]-4:O[6]-2:	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[3x6]C[6])(C[6a]C[6a]C)2	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a])	N[6](B[3x6]C[6,6]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,4|C<3>,6|C<4>}	C[6a](N[6]B[3x6]C[6])(C[6a]C[6a]C)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	B[3x6](N[6]C[6a]C[6])(C[6,6]C[6]2H)2(O[6]C[6,6a]){2|C<4>,4|C<3>,9|H<1>}	123.1750	0.000	1	123.1750	0.000	1	123.1750	0.000	1	123.1750	0.000	1	123.1750	0.000	1	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:2:4:	3:3:3:	3:2:1:1:	C[6a]-3:N[6]-2:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF)	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]N[6])(O[6]C[6,6a])(F)2{4|C<3>}	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	C[6a]-3:N[6]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]N[6])(N[6]B[6]C[6])(C[6a]C[6a]H){1|B<4>,1|O<2>,2|F<1>,3|C<3>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	120.4345	1.019	4	120.4345	1.038	4	120.4345	1.038	4	120.0868	1.324	23	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]S)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){1|H<1>,1|S<2>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]S){1|O<2>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	119.1140	0.000	1	119.1140	0.000	1	120.2701	1.212	16	120.0868	1.324	23	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	118.9960	0.000	1	120.3472	1.197	15	120.2701	1.212	16	120.0868	1.324	23	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	120.4437	1.067	14	120.3472	1.197	15	120.2701	1.212	16	120.0868	1.324	23	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:1:1:	C[6a]-3:C[6]-3:B[6]-4:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]C[6])(C[6a]C[6a]H)	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2	N[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]H)(B[6]O[6]FF){1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]C[6])(C[6a]C[6a]H){1|O<2>,2|F<1>,3|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(F)2{1|H<1>,4|C<3>}	118.6453	0.534	3	118.6453	0.285	3	118.6453	0.285	3	120.0868	1.324	23	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:2:2:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:O-2:O-2:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]OO){2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{2|C<3>,3|H<1>,3|O<2>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(OC)2{1|H<1>,4|C<3>}	119.4440	0.000	1	119.4440	0.000	1	119.4440	0.000	1	119.4440	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:3:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:C-3:F-1:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CF){2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|F<1>,1|O<2>,3|C<3>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:2:4:4:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:C-4:C-4:	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2	N[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(B[6]O[6]CC){2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	121.7640	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	116.9210	0.000	1	116.1442	0.789	13	116.1442	0.789	13	116.1442	0.789	13	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:3:1:1:	C[6]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(B[6]N[6]FF){3|H<1>,6|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])2(F)2{7|C<3>}	116.0795	0.895	12	116.1442	0.789	13	116.1442	0.789	13	116.1442	0.789	13	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:3:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-4:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<4>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6]){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]N[6])(F)2{1|S<2>,5|C<3>}	117.5360	0.000	1	117.5360	0.000	1	117.5360	0.000	1	123.5289	5.558	31	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:N[6]-2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])(N[6]C[6,6]H)(F)2{1|O<2>,3|C<3>}	120.6045	0.291	2	120.6045	0.084	2	120.6045	0.084	2	123.5289	5.558	31	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	120.7560	0.145	4	123.8211	4.211	24	123.7906	3.964	26	123.5289	5.558	31	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	124.4342	1.649	20	123.8211	4.211	24	123.7906	3.964	26	123.5289	5.558	31	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2	B[6](N[6]C[6a]N[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|O<2>,3|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]N[6])2(F)2{5|C<3>}	123.4240	1.400	2	123.4240	1.960	2	123.7906	3.964	26	123.5289	5.558	31	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:2:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])2(H)2	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	B[6](N[6]C[6a]N[6])2(H)2{5|C<3>}	126.0475	0.271	2	126.0475	0.073	2	126.0475	0.073	2	123.5289	5.558	31	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:2:	3:3:3:	3:3:2:2:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:O-2:	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])2(OC)2	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	B[6](N[6]C[6a]N[6])2(OC)2{5|C<3>}	120.8422	0.904	6	120.8422	0.817	6	120.8422	0.817	6	120.8422	0.817	6	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|Br<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	120.4740	0.000	1	121.0645	0.697	2	120.0700	3.316	3	120.0700	3.316	3	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,3|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|H<1>,4|C<3>}	121.6550	0.000	1	121.0645	0.697	2	120.0700	3.316	3	120.0700	3.316	3	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:2:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2	N[6](C[6a]C[6a]2)(B[6]O[6]FF)(C[6]C[6]S){3|C<3>,3|H<1>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])(O[6]C[6])(F)2{1|S<2>,4|C<3>}	118.0810	0.000	1	118.0810	0.000	1	120.0700	3.316	3	120.0700	3.316	3	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)(C[6a]C[6a]H)	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<3>,6|C<3>}	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	116.3450	0.000	1	116.3450	0.000	1	118.0318	0.910	10	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)2	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	118.4773	0.593	7	118.4773	0.351	7	118.0318	0.910	10	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5a,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6a]C[5a,6])(B[6]N[5a,6]FF)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[5a,6]C[6a])(F)2{7|C<3>}	117.3160	0.907	2	117.3160	0.822	2	118.0318	0.910	10	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[5a,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2	N[6](C[5a,6]C[5a,6]S[5a])(B[6]N[6,6]FF)(C[6a]C[6a]2){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[6]C[5a,6]B[6])(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[5a,6]C[6a])(F)2{1|H<1>,1|S<2>,5|C<3>}	121.4340	0.000	1	121.4340	0.000	1	121.4340	0.000	1	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Br)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	114.8000	0.000	1	114.8000	0.000	1	115.5317	0.531	7	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,3|C<4>,4|C<3>}	115.8910	0.146	2	115.8910	0.021	2	115.5317	0.531	7	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	115.8580	0.748	3	115.8580	0.559	3	115.5317	0.531	7	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]Cl)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	114.5660	0.000	1	114.5660	0.000	1	115.5317	0.531	7	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	116.1130	1.383	2	116.1130	1.913	2	114.6299	2.024	8	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	113.8645	2.362	2	114.1355	1.278	6	114.6299	2.024	8	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[5,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6a]C[6])(F)2{1|S<2>,6|C<3>}	114.2710	0.443	4	114.1355	1.278	6	114.6299	2.024	8	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	116.1537	1.043	3	117.9882	14.188	4	117.2410	13.433	5	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]C[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(F)2{1|H<1>,6|C<3>}	123.4920	0.000	1	117.9882	14.188	4	117.2410	13.433	5	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2	N[6](C[6]C[6a]N[6])(B[6]N[6,6]FF)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]C[6])(F)2{1|N<2>,6|C<3>}	114.2520	0.000	1	114.2520	0.000	1	117.2410	13.433	5	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	114.0540	0.337	2	114.0540	0.113	2	115.5092	1.974	5	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])2(F)2{2|C<4>,5|C<3>}	116.6740	0.704	2	116.6740	0.496	2	115.5092	1.974	5	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:F-1:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])2(F)2	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(C[6]C[6]C){3|H<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6]C[6a]C[6])2(F)2{1|C<4>,6|C<3>}	116.0900	0.000	1	116.0900	0.000	1	115.5092	1.974	5	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:I-1:I-1:	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	B[6](N[6]C[6a]C[6])2(I)2	N[6](C[6a]C[6a]2)(B[6]N[6]II)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{1|C<4>,1|N<3>,2|C<3>,2|F<1>,2|I<1>}	B[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	121.9370	0.689	2	121.9370	0.474	2	121.9370	0.474	2	116.7142	6.352	38	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:2:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]C[6])2(OC)(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[6](N[6]C[6a]C[6])2(OC)(F){2|C<4>,5|C<3>}	118.3330	2.031	2	118.3330	4.124	2	115.8560	10.500	4	115.8560	10.500	4	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:2:1:	C[6a]-3:B[6]-4:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:F-1:	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]C[6])2(OC[6a])(F)	N[6](C[6a]C[6a]2)(B[6]N[6]FO)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	B[6](N[6]C[6a]C[6])2(OC[6a])(F){2|C<4>,5|C<3>}	113.3790	1.683	2	113.3790	2.832	2	115.8560	10.500	4	115.8560	10.500	4	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:3:3:4:	C[6,6]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]C[6,6]B[6])(C[6a]C[6a]H)2	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH)	N[6](C[6,6]P[6,6]S[6])(B[6]C[6a]2C[6])(C[6a]C[6a]2){1|B<4>,2|C<4>,4|H<1>,7|C<3>}	C[6a](N[6]C[6,6]B[6])(C[6a]C[6a]H)2{1|C<4>,1|P<4>,1|S<2>,2|H<1>,3|C<3>}	B[6](N[6]C[6,6]C[6a])(C[6a]C[6a]2)2(C[6]C[6]HH){1|P<4>,1|S<2>,2|H<1>,4|F<1>,6|C<3>}	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	3:4:3:	3:3:3:	3:4:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[5,6]-4:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	C[6a](N[6]C[6,6a]B[6])(C[6a]C[6a]C)2{1|N<4>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	117.4090	0.000	1	117.4090	0.000	1	117.4090	0.000	1	117.4090	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|C<4>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	118.9790	0.000	1	118.9790	0.000	1	121.8452	3.936	6	121.8452	3.936	6	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	121.1880	0.000	1	122.6397	2.947	4	121.8452	3.936	6	121.8452	3.936	6	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	121.1240	0.000	1	122.6397	2.947	4	121.8452	3.936	6	121.8452	3.936	6	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,5|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(F)2{1|H<1>,5|C<3>}	124.1235	0.183	2	122.6397	2.947	4	121.8452	3.936	6	121.8452	3.936	6	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:F-1:F-1:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6a]C[6,6])(N[6]C[6a]N[6])(F)2{6|C<3>}	121.5330	0.000	1	121.5330	0.000	1	121.8452	3.936	6	121.8452	3.936	6	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,8|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|C<4>,4|H<1>,7|C<3>}	124.2685	0.771	2	124.2685	0.595	2	124.2685	0.595	2	125.4287	4.336	3	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,8|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	127.7490	0.000	1	127.7490	0.000	1	127.7490	0.000	1	125.4287	4.336	3	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:2:	3:3:3:	3:3:3:4:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH)	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6]){1|H<1>,1|P<4>,3|C<4>,6|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]N[6])(C[6a]C[6a]2)2(C[6]P[6]CH){1|N<2>,4|F<1>,8|C<3>}	122.4070	0.000	1	122.4070	0.000	1	122.4070	0.000	1	122.4070	0.000	1	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Br-1:Br-1:	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	B[6](N[6]C[6a]C[6])2(Br)2	N[6](B[6]N[6]Br2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{2|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6]C[6a]C[6])2(Br)2{2|C<4>,5|C<3>}	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	118.4255	6.885	4	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]C[6])2(Cl)2	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	119.7845	3.610	2	119.7845	13.031	2	118.7640	9.640	3	118.4255	6.885	4	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:1:1:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2	B[6](N[6]C[6a]C[6])2(Cl)2	N[6](B[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|F<1>,4|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]F)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|F<1>}	B[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	116.7230	0.000	1	116.7230	0.000	1	118.7640	9.640	3	118.4255	6.885	4	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){1|H<1>,4|F<1>,8|C<3>}	122.3610	0.000	1	123.0256	3.078	5	123.0256	3.078	5	121.3812	3.150	14	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[6](B[6]C[6a]2O[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	123.1917	1.980	4	123.0256	3.078	5	123.0256	3.078	5	121.3812	3.150	14	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,1|O<2>,7|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){2|C<4>,4|H<1>,7|C<3>}	118.9850	0.000	1	118.9850	0.000	1	120.4677	0.951	9	121.3812	3.150	14	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,7|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,7|C<3>}	120.5853	0.902	7	120.6530	0.734	8	120.4677	0.951	9	121.3812	3.150	14	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6])	N[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,8|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<1>,4|F<1>,7|C<3>}	121.1270	0.000	1	120.6530	0.734	8	120.4677	0.951	9	121.3812	3.150	14	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2	N[6](B[6]N[6,6]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,2|H<1>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,5|C<3>}	B[6](N[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(C[6a]C[6a]2)2{10|C<3>,5|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	124.2691	5.195	10	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){3|H<1>,9|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<2>,4|H<1>,8|C<3>}	123.9930	0.000	1	123.9930	0.000	1	123.9930	0.000	1	124.2691	5.195	10	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|C<4>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	122.4560	0.000	1	122.4560	0.000	1	124.4680	3.368	6	124.2691	5.195	10	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{10|C<3>,1|N<2>,4|H<1>}	124.8704	1.731	5	124.8704	2.996	5	124.4680	3.368	6	124.2691	5.195	10	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,9|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	126.0990	0.000	1	126.0990	0.000	1	126.1735	0.011	2	124.2691	5.195	10	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,9|C<3>}	C[6a](N[6]B[6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)2{2|C<4>,4|F<1>,9|C<3>}	126.2480	0.000	1	126.2480	0.000	1	126.1735	0.011	2	124.2691	5.195	10	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:3:4:	3:3:3:	3:3:1:1:	P[6]-4:C[6a]-3:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:H-1:H-1:	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2	B[6](N[6]C[6a]P[6])2(H)2	N[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(B[6]N[6]HH){1|Cl<1>,1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]C)2{1|N<3>,4|C<3>,4|H<1>}	B[6](N[6]C[6a]P[6])2(H)2{9|C<3>}	117.9935	0.473	2	117.9935	0.224	2	117.9935	0.224	2	117.9935	0.224	2	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:4:3:	3:3:3:	3:3:3:3:	B[6]-4:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H)	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){11|C<3>,1|P<3>,3|H<1>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	B[6](N[6]C[6a]P[6])(C[6a]C[6a]2)2(N[6]C[6]H){1|N<3>,4|F<1>,9|C<3>}	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	117.6520	22.048	3	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP2_SP2_SP3	N[6]	C[6a]	B[6]	4:4:3:	3:3:3:	3:3:3:3:	B[6]-4:P[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2)	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(P[6]C[6a]2C[6])(C[6a]C[6a]2){12|C<3>,1|P<4>,2|H<1>}	C[6a](N[6]B[6]P[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,6|C<3>}	B[6](N[6]C[6a]P[6])2(C[6a]C[6a]2)2{13|C<3>,4|F<1>}	114.9505	0.554	2	114.9505	0.307	2	114.9505	0.307	2	117.6520	22.048	3	119.9497	12.829	168	119.9556	10.128	223
856	643	874	0:SP3_SP2_SP3	N[6]	C[6a]	B[6]	4:3:3:	3:3:3:	3:3:3:3:	B[6]-4:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C)	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]C){1|N<2>,2|H<1>,8|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	B[6](N[6]C[6a]N[6])2(C[6a]C[6a]2)2{1|C<4>,4|H<1>,9|C<3>}	124.3110	0.000	1	124.3110	0.000	1	124.3110	0.000	1	124.3110	0.000	1	124.3110	0.000	1	124.3110	0.000	1
856	643	874	6:SP2_SP2_SP3	N[6,6]	C[6,6,6a]	B[6]	3:4:3:	3:3:3:	3:2:3:1:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:O[6]-2:C-3:F-1:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F)	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]O[6]CF)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	B[6](N[6,6]C[6,6,6a]C[6])(O[6]C[6,6a])(CC[6a]O)(F){1|H<1>,4|C<3>}	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	119.3480	1.734	2	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6,6]	C[6,6,6a]	B[6]	3:4:3:	3:3:3:	3:3:3:2:	C[6,6,6a]-3:B[6]-4:C[6]-3:	C[6,6a,6a]-3:C[6,6a]-3:N[6,6]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6])	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a])	N[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(B[6]C[6a]2O[6])(C[6]C[6]H){1|H<1>,8|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]C[6])(N[6,6]B[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	B[6](N[6,6]C[6,6,6a]C[6])(C[6a]C[6a]2)2(O[6]C[6,6a]){5|H<1>,8|C<3>}	118.4170	0.000	1	118.4170	0.000	1	118.4170	0.000	1	118.4170	0.000	1	119.3480	1.734	2	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6,6]	3:4:4:	3:3:3:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	123.3741	0.404	30	123.3741	0.164	30	123.3295	0.205	32	123.3295	0.205	32	123.5425	0.556	36	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6,6]	3:4:4:	3:3:3:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6]HH){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	122.0940	0.000	1	122.0940	0.000	1	123.3295	0.205	32	123.3295	0.205	32	123.5425	0.556	36	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6,6]	3:4:4:	3:3:3:	3:3:2:2:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O[6]-2:O[6]-2:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]O[6]2)(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,1|N<3>,2|O<2>,3|C<3>}	B[6,6](N[6]C[6,6a]C)2(O[6]C[6,6a])2{6|C<3>}	123.2270	0.000	1	123.2270	0.000	1	123.3295	0.205	32	123.3295	0.205	32	123.5425	0.556	36	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6,6]	3:4:4:	3:3:3:	3:3:3:3:	C[6,6a]-3:B[6,6]-4:C-4:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:N[6]-3:N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C)	B[6,6](N[6]C[6,6a]C)4	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6,6]N[6]3)(CH3){1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6,6]C){1|H<1>,3|C<3>,3|N<3>}	B[6,6](N[6]C[6,6a]C)4{6|C<3>}	125.2465	0.149	4	125.2465	0.022	4	125.2465	0.022	4	125.2465	0.022	4	123.5425	0.556	36	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	3:3:4:	3:3:3:	3:4:1:1:	C[6,6a]-3:C[6a]-3:B[6]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[6]-4:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(B[6]N[6]FF){1|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	B[6](N[6]C[6,6a]C[6a])(N[6]C[6]CC)(F)2{2|H<1>,4|C<3>}	124.9630	0.000	1	124.9630	0.000	1	124.9630	0.000	1	124.9630	0.000	1	123.1919	13.235	14	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:1:	3:3:3:	3:3:3:3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	117.2173	0.849	3	117.2173	0.721	3	117.2173	0.721	3	117.2173	0.721	3	123.1919	13.235	14	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6]C[5])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,3|C<4>,4|C<3>}	124.9650	0.482	2	124.9650	0.233	2	125.8111	0.547	7	125.8111	0.547	7	123.1919	13.235	14	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	125.7900	0.167	3	126.1496	0.260	5	125.8111	0.547	7	125.8111	0.547	7	123.1919	13.235	14	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Br<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	126.5990	0.000	1	126.1496	0.260	5	125.8111	0.547	7	125.8111	0.547	7	123.1919	13.235	14	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:3:	3:3:3:	3:3:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5,6]-3:N[6]-3:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H)	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){2|Cl<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|F<1>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]C[6a])(F)2{1|O<2>,6|C<3>}	126.7790	0.000	1	126.1496	0.260	5	125.8111	0.547	7	125.8111	0.547	7	123.1919	13.235	14	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	3:4:3:	3:3:3:	3:4:1:1:	C[6,6a]-3:B[6]-4:C[6a]-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N[5,6]-4:F-1:F-1:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H)	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]FF)(C[6a]C[6a]2){1|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]B[6])(C[6a]C[6a]H){1|N<4>,2|F<1>,3|C<3>,4|H<1>}	B[6](N[6]C[6,6a]C[6a])(N[5,6]C[5]2C[6])(F)2{2|C<4>,4|C<3>,6|H<1>}	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	123.1919	13.235	14	123.2868	4.447	52
856	643	874	6:SP2_SP2_SP3	N[6]	C[6,6a]	B[6]	4:3:1:	3:3:3:	3:3:3:3:	B[6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[5,6]-3:N[6]-3:C[6a]-3:C[6a]-3:	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H)	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H){2|N<3>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H){1|B<4>,2|H<1>,2|N<3>,4|C<3>}	B[6](N[5,6]N[5,6]C[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	122.1945	2.658	2	122.1945	7.065	2	122.1945	7.065	2	122.1945	7.065	2	123.1919	13.235	14	123.2868	4.447	52
856	643	878	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[4,4,6]	4:3:3:	3:3:3:	3:3:3:3:	Ga[4,4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P[4x4]-3:P[4x4]-3:	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[4,4,6]C[6])(C[6a]C[6a]C)2	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2	N[6](Ga[4,4,6]P[4x4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6a](N[6]Ga[4,4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	Ga[4,4,6](N[6]C[6a]C[6])2(P[4x4]P[4x4]2)2{1|Ga<4>,2|C<4>,5|C<3>}	115.0159	1.171	8	115.0159	1.372	8	115.0159	1.372	8	115.0159	1.372	8	115.0159	1.372	8	116.7055	8.830	13
856	643	878	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[4,6]	4:3:3:	3:3:3:	3:3:2:2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:As[4]-2:As[4]-2:	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2	N[6](Ga[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|As<3>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2{2|As<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[4,6](N[6]C[6a]C[6])2(As[4]As[4])2{1|Ga<4>,2|C<4>,5|C<3>}	116.2605	0.306	2	116.2605	0.094	2	116.2605	0.094	2	119.2832	12.219	4	119.4090	9.243	5	116.7055	8.830	13
856	643	878	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[4,6]	4:3:3:	3:3:3:	3:3:2:2:	Ga[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:S[4]-2:S[4]-2:	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2	N[6](Ga[4,6]N[6]S[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ga<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|S<2>}	Ga[4,6](N[6]C[6a]C[6])2(S[4]Ga[4,6])2{2|C<4>,2|N<3>,5|C<3>}	122.3060	0.122	2	122.3060	0.015	2	122.3060	0.015	2	119.2832	12.219	4	119.4090	9.243	5	116.7055	8.830	13
856	643	878	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[4,6]	4:3:3:	3:3:3:	4:3:3:4:	Ga[4,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[4,6,6]-4:N[4,6]-3:N[6]-3:C-4:	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2)	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]H)2	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3)	N[6](Ga[4,6]N[4,6,6]N[4,6]C)(C[6]N[4,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|H<1>,6|C<3>}	C[6a](N[6]Ga[4,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>,2|N<3>}	Ga[4,6](N[4,6,6]Ga[4,6,6]2C[6a])(N[4,6]Ga[4,6,6]C[6])(N[6]C[6a]C[6])(CH3){2|C<4>,2|N<3>,2|N<4>,6|C<3>}	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	119.4090	9.243	5	116.7055	8.830	13
856	643	881	0:SP2_SP2_SPD5	N[6]	C[6a]	Si[3,6]	5:3:3:	3:3:3:	3:3:3:2:2:	Si[3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[5]-3:O[3]-2:O[3]-2:	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2{3|C<4>,8|C<3>}	120.2100	0.000	1	119.6960	0.528	2	119.6960	0.528	2	119.6960	0.528	2	119.6960	0.528	2	119.6960	0.528	2
856	643	881	0:SP2_SP2_SPD5	N[6]	C[6a]	Si[3,6]	5:3:3:	3:3:3:	3:3:3:2:2:	Si[3,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[5]-3:O[3]-2:O[3]-2:	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2	N[6](Si[3,6]C[5]N[6]O[3]2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|N<3>,4|C<3>}	C[6a](N[6]Si[3,6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|O<2>,4|C<3>}	Si[3,6](N[6]C[6a]C[6])2(C[5]N[5]2)(O[3]O[3])2{3|C<4>,8|C<3>}	119.1820	0.000	1	119.6960	0.528	2	119.6960	0.528	2	119.6960	0.528	2	119.6960	0.528	2	119.6960	0.528	2
856	643	882	0:SP2_SP2_SP3	N[6,6]	C[6a]	P[4,6,6]	3:3:3:	3:3:3:	3:3:3:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[4,6]-3:N[4,6]-3:N[6,6]-3:	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	P[4,6,6](N[4,6]P[4,6,6]C[6a])2(N[6,6]C[6,6]C[6a])	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,2|C<4>,5|C<3>}	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,3|H<1>,3|N<3>}	P[4,6,6](N[4,6]P[4,6,6]C[6a])2(N[6,6]C[6,6]C[6a]){1|H<1>,1|N<3>,6|C<3>}	116.5355	0.626	2	116.5355	0.392	2	116.5355	0.392	2	117.2375	6.138	13	117.2375	6.138	13	117.2375	6.138	13
856	643	882	0:SP2_SP2_SP3	N[6,6]	C[6a]	P[4,6,6]	3:3:3:	3:3:3:	3:3:3:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[4,6]-3:N[4,6]-3:	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]H)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|C<3>,3|H<1>,3|N<3>}	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2{1|H<1>,1|N<3>,2|C<3>}	119.1768	2.206	6	119.1768	4.869	6	117.3652	7.209	11	117.2375	6.138	13	117.2375	6.138	13	117.2375	6.138	13
856	643	882	0:SP2_SP2_SP3	N[6,6]	C[6a]	P[4,6,6]	3:3:3:	3:3:3:	3:3:3:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[4,6]-3:N[4,6]-3:	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|Ir<4>,1|C<3>,2|H<1>,3|N<3>}	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2{1|Ir<4>,1|N<3>,2|C<3>}	115.3720	1.988	2	115.1912	1.107	5	117.3652	7.209	11	117.2375	6.138	13	117.2375	6.138	13	117.2375	6.138	13
856	643	882	0:SP2_SP2_SP3	N[6,6]	C[6a]	P[4,6,6]	3:3:3:	3:3:3:	3:3:3:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[4,6]-3:N[4,6]-3:	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2){1|P<3>,3|C<3>,4|C<4>}	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,2|H<1>,3|N<3>}	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2{1|Ir<6>,1|N<3>,2|C<3>}	115.0750	0.604	2	115.1912	1.107	5	117.3652	7.209	11	117.2375	6.138	13	117.2375	6.138	13	117.2375	6.138	13
856	643	882	0:SP2_SP2_SP3	N[6,6]	C[6a]	P[4,6,6]	3:3:3:	3:3:3:	3:3:3:	P[4,6,6]-3:C[6,6]-3:C[6a]-3:	N[6,6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[4,6]-3:N[4,6]-3:	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2)	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2	N[6,6](P[4,6,6]N[4,6]2)(C[6,6]N[6,6]Ir)(C[6a]C[6a]2){1|P<4>,3|C<3>,4|C<4>}	C[6a](N[6,6]P[4,6,6]C[6,6])(C[6a]C[6a]C)2{1|Ir<6>,1|C<3>,2|H<1>,3|N<3>}	P[4,6,6](N[6,6]C[6,6]C[6a])(N[4,6]P[4,6,6]C)2{2|Ir<6>,1|N<3>,2|C<3>}	115.0620	0.000	1	115.1912	1.107	5	117.3652	7.209	11	117.2375	6.138	13	117.2375	6.138	13	117.2375	6.138	13
856	643	885	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	Ga[5]	3:3:4:	3:3:3:	3:3:3:3:	C[6,6a]-3:C[6,6a]-3:Ga[5]-4:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[5]-3:N[5]-3:N[6]-3:O[5]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H)	Ga[5](N[5]C[6a]C[5])2(N[6]C[6,6a]2)(O[5]C[5]2)	N[6](C[6,6a]C[6,6a]C[6a])2(Ga[5]N[5]2O[5]){1|N<3>,2|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]Ga[5])(C[6a]C[6a]H){1|Ga<4>,1|O<3>,2|H<1>,2|N<3>,3|C<3>}	Ga[5](N[5]C[6a]C[5])2(N[6]C[6,6a]2)(O[5]C[5]2){4|C<4>,4|H<1>,8|C<3>}	120.5105	1.223	2	120.5105	1.495	2	120.5105	1.495	2	120.5105	1.495	2	120.5105	1.495	2	119.9505	5.204	18
856	643	885	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[5,5,6]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	P[3,5,5]-3:N[6]-3:N[6]-3:P[3x5]-3:	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2)	N[6](Ga[5,5,6]P[3,5,5]P[3x5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(N[6]C[6a]C[6])2(P[3x5]P[5,5]2){1|Ga<4>,3|C<4>,5|C<3>}	120.8402	0.576	4	120.8402	0.331	4	120.8402	0.331	4	119.1141	3.964	8	119.1141	3.964	8	119.9505	5.204	18
856	643	885	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[5,5,6]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	P[3,5,5]-3:P[3x5,6]-3:N[6]-3:N[6]-3:	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(P[3x5,6]P[5,5,6]2)(N[6]C[6a]C[6])2	N[6](Ga[5,5,6]P[3,5,5]P[3x5,6]N[6])(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>,4|P<3>}	C[6a](N[6]Ga[5,5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	Ga[5,5,6](P[3,5,5]P[3,5,5]2)(P[3x5,6]P[5,5,6]2)(N[6]C[6a]C[6])2{2|C<4>,2|P<3>,5|C<3>}	117.3880	0.987	4	117.3880	0.974	4	117.3880	0.974	4	119.1141	3.964	8	119.1141	3.964	8	119.9505	5.204	18
856	643	885	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[5,6]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[5]-3:N[5]-3:	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2	N[6](Ga[5,6]N[5]2N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|Si<4>,1|H<1>,2|C<4>,2|N<2>,4|C<3>}	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,2|C<3>,2|H<1>,3|N<3>}	Ga[5,6](N[6]C[6a]C[6])2(N[5]N[5]Si)2{2|C<4>,5|C<3>}	123.6455	1.800	2	123.6455	3.239	2	123.6455	3.239	2	121.0588	10.072	4	120.6469	7.017	8	119.9505	5.204	18
856	643	885	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[5,6]	4:3:3:	3:3:3:	3:3:3:3:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P[5]-3:P[5]-3:	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]Co)2	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<3>}	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]Co)2{2|C<4>,5|C<3>}	118.4720	0.462	2	118.4720	0.214	2	118.4720	0.214	2	121.0588	10.072	4	120.6469	7.017	8	119.9505	5.204	18
856	643	885	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[5,6]	4:3:3:	3:3:3:	3:3:4:3:	Ga[5,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P[5]-4:P[5]-3:	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]CoP)(P[5]P[5]Co)	N[6](Ga[5,6]N[6]P[5]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Co<6>,1|H<1>,2|C<4>,3|P<3>,4|C<3>}	C[6a](N[6]Ga[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>,2|H<1>}	Ga[5,6](N[6]C[6a]C[6])2(P[5]P[5]CoP)(P[5]P[5]Co){2|C<4>,5|C<3>}	120.2350	2.418	4	120.2350	5.848	4	120.2350	5.848	4	120.2350	5.848	4	120.6469	7.017	8	119.9505	5.204	18
856	643	893	0:SP2_SP2_SP3	N[6]	C[6,6a]	O	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:B-4:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O)	O(N[6]C[6,6a]C[6])(BF3)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]O){1|N<3>,2|C<3>,3|H<1>}	O(N[6]C[6,6a]C[6])(BF3)	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1	117.9290	0.000	1
856	643	904	0:SP2_SP-NON_SP2	N[6]	C[6a]	P[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:P[6]-3:P[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6])	C[6a](C[6a]C[6a]C)2(N[6]P[6]2)	P[6](N[6]C[6a]P[6])2	N[6](C[6a]C[6a]2)(P[6]N[6]Cl)(P[6]N[6]){1|P<3>,2|C<4>,4|C<3>}	C[6a](C[6a]C[6a]C)2(N[6]P[6]2){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	P[6](N[6]C[6a]P[6])2{2|Cl<1>,1|N<3>,4|C<3>}	115.0660	1.594	2	115.0660	2.540	2	115.0660	2.540	2	115.0660	2.540	2	115.0660	2.540	2	115.0660	2.540	2
856	643	907	0:SP2_SP2_SP3	N[6]	C[6a]	Ge[4,6]	4:3:3:	3:3:3:	3:3:2:2:	Ge[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:As[4]-2:As[4]-2:	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2	Ge[4,6](N[6]C[6a]C[6])2(As[4]Ge[4,6])2	N[6](Ge[4,6]As[4]2N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2{2|As<2>,1|N<3>,2|C<3>,3|H<1>}	Ge[4,6](N[6]C[6a]C[6])2(As[4]Ge[4,6])2{2|H<1>,2|N<3>,5|C<3>}	121.2200	0.432	4	121.2200	0.187	4	121.2200	0.187	4	120.8955	0.374	6	120.8955	0.374	6	120.8955	0.374	6
856	643	907	0:SP2_SP2_SP3	N[6]	C[6a]	Ge[4,6]	4:3:3:	3:3:3:	3:3:2:2:	Ge[4,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P[4]-2:P[4]-2:	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2	N[6](Ge[4,6]N[6]P[4]2)(C[6a]C[6a]2)(C[6]C[6]C){1|Ge<4>,1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ge[4,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|P<2>}	Ge[4,6](N[6]C[6a]C[6])2(P[4]Ge[4,6])2{2|C<4>,2|N<3>,5|C<3>}	120.2465	0.214	2	120.2465	0.046	2	120.2465	0.046	2	120.8955	0.374	6	120.8955	0.374	6	120.8955	0.374	6
856	643	914	0:SP2_SP2_SP2	N[6,6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6,6,6a]-3:N[6]-2:	N[6,6]-3:C[6,6a]-3:C[6a]-3:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6])	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6](N[6,6]C[6,6,6a]C[6,6a])(C[6]C[6a]N[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6a](N[6,6]C[6,6,6a]N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](N[6,6]C[6,6,6a]C[6,6a])(C[6]C[6a]N[6]){6|C<3>}	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:2:4:	3:3:3:	3:3:	C[6a]-3:N[6]-2:B[6]-4:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF)	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(N[6]C[6,6a])(B[6]O[6]FF){2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]B[6]){1|O<2>,2|F<1>,5|C<3>}	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6,6]-3:N[6]-3:	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6])	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])	N[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6]){1|H<1>,1|O<1>,6|C<3>}	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a]){1|N<2>,1|O<1>,5|C<3>}	111.7740	0.000	1	111.7740	0.000	1	111.7740	0.000	1	112.6290	0.615	3	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<2>,5|C<3>}	113.0565	0.366	2	113.0565	0.134	2	113.0565	0.134	2	112.6290	0.615	3	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6,6a]C[6a])(C[6]C[6,6]C)	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,6|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6,6]C){1|N<2>,4|C<3>}	113.9500	0.000	1	113.9500	0.000	1	113.9788	0.430	34	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	115.5265	0.104	2	115.5265	0.011	2	113.9788	0.430	34	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<2>,5|C<3>}	113.8665	0.506	2	113.7672	0.239	22	113.9788	0.430	34	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	113.7572	0.500	20	113.7672	0.239	22	113.9788	0.430	34	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C){4|C<3>}	114.3401	0.303	8	114.3401	0.092	8	113.9788	0.430	34	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6,6a]C[6a])(C[6]S[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|S<2>,4|C<3>}	C[6a](N[6]C[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]S[6]S){1|N<2>,3|C<3>}	112.6760	0.000	1	112.6760	0.000	1	113.9788	0.430	34	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:N[6]-3:	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])	N[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,5|C<3>}	111.9560	0.143	2	111.9560	0.020	2	111.9560	0.020	2	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6]-3:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6]){2|H<1>,6|C<3>}	114.5980	0.792	2	114.5980	0.627	2	114.5980	0.627	2	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	114.7060	0.205	2	114.2896	0.271	14	114.2896	0.271	14	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,1|O<1>,4|C<3>}	114.2004	0.582	10	114.2896	0.271	14	114.2896	0.271	14	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>}	114.3190	0.037	2	114.2896	0.271	14	114.2896	0.271	14	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,4|C<3>}	115.0190	0.000	1	115.0190	0.000	1	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](N[6]C[6a]C[6])(C[6]C[6]H)	N[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,4|C<3>}	114.2110	0.000	1	114.2110	0.000	1	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	113.6315	1.937	2	113.6087	1.877	3	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.5630	0.000	1	113.6087	1.877	3	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]O[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]){1|O<2>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6]O[6]C){1|C<4>,1|O<1>,2|C<3>}	114.9740	0.328	2	114.9740	0.108	2	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<2>,4|C<3>}	116.0350	0.000	1	116.0350	0.000	1	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<3>,1|O<1>,2|C<3>}	115.8954	0.318	8	115.5382	0.370	12	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<3>,1|O<1>,2|C<3>}	114.8238	0.314	4	115.5382	0.370	12	115.1248	0.979	20	114.3186	0.919	72	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:2:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:N[6a]-2:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]N[6a])(C[6]N[6]HO)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|H<1>,1|N<2>,1|N<3>,1|O<2>,4|C<3>}	116.9750	0.000	1	116.9750	0.000	1	116.9750	0.000	1	116.2035	1.190	2	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:2:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]H)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6]){2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,3|C<3>,3|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	115.4320	0.000	1	115.4320	0.000	1	115.4320	0.000	1	116.2035	1.190	2	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	C[6,6]-3:N[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[5,6]C[6,6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[6]FF)(N[6]C[6,6]){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	N[6](C[6,6]C[5,6]C[6,6])(N[6]C[6a]B[6]){1|O<2>,1|S<2>,2|C<3>,2|F<1>,2|N<3>}	113.9335	0.247	2	113.9335	0.061	2	113.9335	0.061	2	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	C[6a,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6a]B[6])(C[6]C[5,6]C)	N[6](C[6a]C[6a,6a]C[6a])(B[6]N[5,6]FF)(N[6]C[6]){1|C<2>,1|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6]B[6]N[6])(C[6a]C[6a]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[5,6]C){1|N<3>,1|S<2>,2|C<3>,2|F<1>}	114.6280	0.000	1	114.6280	0.000	1	114.6280	0.000	1	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|N<3>,2|F<1>,4|C<3>}	114.6404	0.406	20	114.6404	0.165	20	114.6461	0.237	28	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(B[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|N<3>,2|H<1>,4|C<3>}	115.6500	0.011	2	115.6500	0.000	2	114.6461	0.237	28	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](C[6a]C[6a]2)(B[6]N[6]OO)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<2>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|N<3>,2|O<2>,4|C<3>}	114.3305	0.362	6	114.3305	0.131	6	114.6461	0.237	28	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]B[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6](N[6]C[6a]B[6])(C[6]N[6]C){1|N<3>,2|C<3>,2|F<1>}	114.4933	0.316	4	114.4933	0.100	4	114.9293	0.517	6	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:B[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2	N[6](N[6]C[6a]B[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(B[6]N[6]FF)(N[6]C[6]){1|C<2>,1|N<2>,2|O<2>,3|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]O)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6](N[6]C[6a]B[6])(C[6]N[6]C){1|N<3>,2|C<3>,2|F<1>}	115.8015	0.067	2	115.8015	0.005	2	114.9293	0.517	6	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[5a]C[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[5a]C[6])(N[6]C[6a]C[6]){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	115.8480	0.000	1	115.8480	0.000	1	117.7087	2.176	6	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	115.7740	0.000	1	115.7740	0.000	1	117.7087	2.176	6	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|N<3>,2|H<1>,4|C<3>}	118.6575	0.156	4	118.6575	0.024	4	117.7087	2.176	6	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]N[6])	N[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]){1|N<3>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]N[6]){1|Pd<4>,2|H<1>,2|N<3>,3|C<3>}	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	115.1543	1.866	44	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:2:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-2:	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2	N[6](N[6]C[6a]B[6])(N[6]P[6])	N[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(N[6]N[6]){1|H<1>,1|P<4>,3|C<4>,6|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]B[6])(N[6]P[6]){1|C<4>,6|C<3>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	B[6,6a]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2	N[6](N[6]B[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](B[6,6a]N[5a,6a]N[6,6a]N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,2|B<3>,2|H<1>,6|C<3>}	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|N<3>}	N[6](N[6]B[6,6a]C[6a])(C[6]C[6a]N[6]){3|N<3>,4|C<3>}	111.5855	0.080	2	111.5855	0.006	2	111.5855	0.006	2	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6])	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,2|H<1>,8|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]B[6]){1|C<4>,1|N<3>,6|C<3>}	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]B[6])(C[6]C[6]C)	N[6](B[6]C[6a]2N[6])(C[6a]C[6a]2)(N[6]C[6]){3|H<1>,8|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	N[6](N[6]C[6a]B[6])(C[6]C[6]C){1|C<4>,1|N<3>,4|C<3>}	113.1940	0.447	2	113.1940	0.200	2	113.4781	0.121	8	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|C<4>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	113.7930	0.000	1	113.7930	0.000	1	113.4781	0.121	8	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	113.5755	0.373	2	113.5288	0.093	5	113.4781	0.121	8	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	113.8510	0.000	1	113.5288	0.093	5	113.4781	0.121	8	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	B[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C)	N[6](B[6]N[6,6]FF)(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,5|C<3>}	C[6a](N[6]B[6]N[6])(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	N[6](N[6]C[6a]B[6])(C[6]C[6,6]C){1|N<3>,2|F<1>,3|C<3>}	113.3210	0.197	2	113.5288	0.093	5	113.4781	0.121	8	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[5,6,6]C[6,6a])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6]){2|C<4>,4|C<3>,5|H<1>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5,6,6]C[6,6a])(N[6]C[5,6]C[6a]){1|H<1>,4|C<3>,4|C<4>}	115.6420	0.000	1	115.6420	0.000	1	113.5105	5.129	4	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a]){3|C<4>,3|H<1>,4|C<3>}	110.3100	0.000	1	110.3100	0.000	1	113.5105	5.129	4	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6a]C[6,6])(N[6]C[5,6]C[6a]){1|H<1>,2|C<4>,6|C<3>}	114.0450	0.167	2	114.0450	0.028	2	113.5105	5.129	4	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[6,6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C)	N[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[6](N[6]C[6,6]C[6a])(C[6]C[6,6]C){2|H<1>,2|N<3>,3|C<3>}	116.1440	0.494	6	116.1440	0.244	6	116.1440	0.244	6	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,7|C<3>}	114.7500	0.610	2	114.7500	0.372	2	114.6857	0.954	4	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,1|S<4>,5|C<3>}	113.5090	0.000	1	113.5090	0.000	1	114.6857	0.954	4	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|H<1>,6|C<3>}	115.7340	0.000	1	115.7340	0.000	1	114.6857	0.954	4	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP2_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]H)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	114.1208	3.022	26	114.4953	1.974	149	114.5213	2.062	150
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]N[6]C)	N[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]N[6]C){1|N<2>,4|C<3>}	115.8475	0.101	2	115.8475	0.010	2	115.8475	0.010	2	116.5507	1.488	3	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[6]-3:C[6a]-3:N[6]-2:	C[6a]-3:C[6a]-3:N[6]-3:	C[6]-3:N[6]-3:	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6a](C[6a]C[6a]H)2(N[6]N[6]2)	N[6](C[6]N[6,6a]C[6a])(N[6]C[6a]N[6])	N[6](N[6]B[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6a]C[6a]H)2(N[6]N[6]2){1|B<3>,2|H<1>,3|C<3>}	N[6](C[6]N[6,6a]C[6a])(N[6]C[6a]N[6]){1|B<3>,1|B<4>,5|C<3>}	117.9570	0.000	1	117.9570	0.000	1	117.9570	0.000	1	116.5507	1.488	3	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:2:	3:4:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:N[6a]-2:	N[6]-3:C[6]-4:	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](N[6]C[6a]C[6])(C[6]C[6]HN)	N[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]HN){1|N<2>,2|C<3>,3|H<1>}	115.6050	0.000	1	115.6050	0.000	1	115.6050	0.000	1	115.6050	0.000	1	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[3x6]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[3x6]O[6])(N[6]C[6a]C[6]){1|H<1>,3|C<3>,4|C<4>}	115.1540	0.000	1	115.1540	0.000	1	115.3470	0.247	3	115.0242	0.582	4	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	114.9750	0.000	1	115.4435	0.439	2	115.3470	0.247	3	115.0242	0.582	4	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6])	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]O[6])(N[6]C[6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	115.9120	0.000	1	115.4435	0.439	2	115.3470	0.247	3	115.0242	0.582	4	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6]C)	N[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]){2|C<3>,2|C<4>,4|H<1>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](N[6]C[6a]C[6])(C[6]C[6]C){1|H<1>,2|C<3>,4|C<4>}	114.0560	0.000	1	114.0560	0.000	1	114.0560	0.000	1	115.0242	0.582	4	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[5,6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	C[6,6]-3:N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6])	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(N[6]C[6,6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6a](N[6]C[5,6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C[6a]){3|C<4>,3|H<1>,4|C<3>}	110.6570	0.000	1	110.6570	0.000	1	110.6570	0.000	1	110.9455	10.233	4	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[6,6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6,6]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,6|C<3>}	C[6a](N[6]C[6,6]N[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](N[6]C[6,6]C[6a])(C[6]C[6a]N[6]){1|H<1>,1|S<4>,2|C<4>,4|C<3>}	115.5310	0.000	1	115.5310	0.000	1	115.5310	0.000	1	110.9455	10.233	4	114.0947	8.993	12	114.0947	8.993	12
856	643	914	0:SP3_SP2_SP2	N[6]	C[6a]	N[6]	4:3:2:	3:3:3:	3:3:	C[6]-4:C[6a]-3:N[6]-2:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6])	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]C)	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]C[6]N[6])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[6](N[6]C[6a]C[6])(C[6]C[6,6a]C){2|C<4>,4|C<3>}	108.7970	0.597	2	108.7970	0.356	2	108.7970	0.356	2	110.9455	10.233	4	114.0947	8.993	12	114.0947	8.993	12
856	643	914	6:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6,6,6a]-3:N[6]-2:	N[6,6]-3:C[6,6a]-3:C[6,6a]-3:	N[6,6]-3:C[6]-3:	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6])	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])	N[6](N[6,6]C[6,6,6a]C[6,6a])(C[6]C[6a]N[6])	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	C[6,6,6a](N[6,6]C[6,6a]N[6])(C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6]){2|H<1>,4|C<3>}	N[6](N[6,6]C[6,6,6a]C[6,6a])(C[6]C[6a]N[6]){6|C<3>}	122.5150	0.000	1	122.5150	0.000	1	122.5150	0.000	1	122.5150	0.000	1	122.5150	0.000	1	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:1:	3:3:3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O){1|H<1>,4|C<3>}	124.0850	0.000	1	124.0850	0.000	1	124.0903	0.000	3	123.7972	0.344	4	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:1:	3:3:3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6,6a]-3:N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O)	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a])(O){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]N[6]O){1|N<2>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]O){1|N<2>,3|C<3>}	124.0930	0.016	2	124.0930	0.000	2	124.0903	0.000	3	123.7972	0.344	4	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:1:	3:3:3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	N[6](N[6]C[6,6a]O)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|H<1>,1|O<2>,2|C<3>}	N[6](N[6]C[6,6a]O)(C[6]N[6]N){2|C<3>}	122.9180	0.000	1	122.9180	0.000	1	122.9180	0.000	1	123.7972	0.344	4	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:1:	3:3:3:	3:4:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O)	N[6](N[6]C[6,6a]O)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](N[6]C[6,6a]O)(C[6]N[6]CC){1|H<1>,2|C<3>}	124.2265	0.019	2	124.2265	0.000	2	124.2265	0.000	2	124.2265	0.000	2	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:2:4:	3:3:3:	3:3:	C[6,6a]-3:N[6]-2:C-4:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C)	N[6](N[6]C[6,6a]C)(C[6]C[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(CCHH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]N[6]C){1|H<1>,2|C<3>,2|O<2>}	N[6](N[6]C[6,6a]C)(C[6]C[6]C){1|O<2>,2|C<3>}	123.6410	0.416	2	123.6410	0.173	2	123.6410	0.173	2	123.6410	0.173	2	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a])	N[6](N[6]C[6,6a]C[6a])(C[6]C[6,6]C)	N[6](C[6,6a]C[6,6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,6|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(N[6]C[6a]N[6])(N[6a]C[6a]){2|N<3>,5|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6,6]C){1|N<2>,4|C<3>}	122.7360	0.000	1	122.7360	0.000	1	122.7360	0.000	1	120.7840	7.621	2	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:2:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a])	N[6](N[6]C[6,6a]C[6a])(C[6]S[6]S)	N[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]){2|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6a]N[6])(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]S[6]S){1|N<2>,3|C<3>}	118.8320	0.000	1	118.8320	0.000	1	118.8320	0.000	1	120.7840	7.621	2	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	123.1130	0.000	1	123.5935	0.187	4	123.8731	0.249	7	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|O<2>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	123.3430	0.000	1	123.5935	0.187	4	123.8731	0.249	7	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6])	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|S<2>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	123.9590	0.000	2	123.5935	0.187	4	123.8731	0.249	7	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|H<1>,1|N<3>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	124.5990	0.000	1	124.2460	0.100	3	123.8731	0.249	7	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6])	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6a]N[6]){1|N<3>,5|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	124.0695	0.117	2	124.2460	0.100	3	123.8731	0.249	7	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,5|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C){4|C<3>}	123.0860	0.000	1	123.0860	0.000	1	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	123.5955	0.100	2	122.3691	0.400	17	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<2>,5|C<3>}	122.4630	0.000	1	122.3691	0.400	17	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	121.6740	0.000	1	122.3691	0.400	17	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	122.1642	0.682	5	122.3691	0.400	17	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<2>,5|C<3>}	122.9270	0.000	1	122.3691	0.400	17	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){6|C<3>}	122.1713	0.195	7	122.3691	0.400	17	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C){4|C<3>}	123.2430	0.000	1	122.8156	0.289	7	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,5|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C){4|C<3>}	123.1550	0.000	1	122.8156	0.289	7	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]N[6]C){4|C<3>}	122.6622	0.573	5	122.8156	0.289	7	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	914	6:SP2_SP2_SP2	N[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6a]-3:N[6]-2:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H)	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6a]N[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	N[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6]){1|N<2>,5|C<3>}	122.1545	0.292	2	122.1545	0.085	2	122.4955	0.376	27	122.7791	0.661	34	122.8860	1.115	44	122.8777	1.092	45
856	643	922	6:SP3_SP2_SP3	N[6]	C[6,6a]	S[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6a]-3:S[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H)	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	117.0640	0.000	1	117.0640	0.000	1	117.0640	0.000	1	117.0640	0.000	1	117.0640	0.000	1	117.0640	0.000	1
856	643	927	0:SP3_SP2_SP2	N[6]	C[6a]	B[6,6a]	3:3:3:	3:3:3:	3:3:3:	B[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6a]-3:N[6a]-3:N[6]-3:	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	C[6a](N[6]B[6,6a]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1	119.1100	0.000	1
856	643	930	0:SP2_SP2_SP2	N[6,6]	C[6,6,6a]	C	4:3:3:	3:3:3:	3:4:1:	C[4,6,6]-4:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:N[6,6]-3:C[6a]-3:	N[6,6]-3:C-4:O-1:	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO)	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H)	C(N[6,6]C[6,6,6a]C[4,6,6])(CH3)(O)	N[6,6](C[4,6,6]C[4,6,6]C[4,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(CCO){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[4,3x6]C[6a])(N[6,6]C[4,6,6]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	C(N[6,6]C[6,6,6a]C[4,6,6])(CH3)(O)	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:2:3:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:O[6a]-2:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]C){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CHO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CHO){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(H)(O)	120.8230	1.953	2	120.8230	3.814	2	120.8230	3.814	2	120.2950	2.744	3	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:H-1:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)2	119.2390	0.000	1	119.2390	0.000	1	119.2390	0.000	1	120.2950	2.744	3	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(COO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(OC)(O)	122.3635	2.426	4	122.3635	5.888	4	122.0643	5.193	6	120.7068	6.376	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(COO)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(COO){1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(OC)(O)	121.4660	2.688	2	121.4660	7.228	2	122.0643	5.193	6	120.7068	6.376	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.4325	1.784	2	118.4325	3.183	2	118.6705	1.258	4	120.7068	6.376	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.4810	0.000	1	118.4810	0.000	1	118.6705	1.258	4	120.7068	6.376	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|S<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(N[6]C[6,6a]C[6])(OC[6])(O)	119.3360	0.000	1	119.3360	0.000	1	118.6705	1.258	4	120.7068	6.376	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(C[5]N[5,6]C[5])(N[6]C[6,6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]N[5,6]C[5])(N[6]C[6,6a]2)(O)	121.1570	1.940	2	121.1570	3.765	2	121.1570	3.765	2	119.8187	5.049	15	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CC[6a]2)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C(N[6]C[6,6a]2)(CC[6a]2)(H)	118.4430	0.724	2	118.4430	0.524	2	119.8367	6.870	4	119.8187	5.049	15	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CCH)(H)	121.2305	3.509	2	121.2305	12.316	2	119.8367	6.870	4	119.8187	5.049	15	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CNO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(NCC)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(NCC)(O)	121.5500	0.465	2	121.5500	0.216	2	121.6755	1.838	4	119.8187	5.049	15	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:N-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CNO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(NCH)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CNO){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(NCH)(O)	121.8010	2.288	2	121.8010	5.236	2	121.6755	1.838	4	119.8187	5.049	15	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	117.5105	0.637	4	117.5105	0.406	4	117.5105	0.406	4	119.8187	5.049	15	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(N[6]C[6]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CN[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(N[6]C[6,6a]C[6])(N[6]C[6]2)(O)	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	119.8187	5.049	15	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-3:C-2:	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CCl2)(CC)	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CCl2)(CC)	117.7350	0.680	2	117.7350	0.463	2	117.7350	0.463	2	117.7350	0.463	2	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CCC)2	N[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CCC)2	121.7910	2.124	2	121.7910	4.512	2	121.7910	4.512	2	121.7910	4.512	2	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-4:H-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCH)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CH3)(H)	N[6](C[6,6a]C[6,6a]C[6a])2(CCH){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CH3)(H)	118.6910	0.199	2	118.6910	0.040	2	118.6910	0.040	2	120.5345	5.740	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CC[6a]HO)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	C(N[6]C[6,6a]2)(CC[6a]HO)(O)	118.0950	0.000	1	118.0950	0.000	1	120.9954	6.161	8	120.5345	5.740	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O)	C(N[6]C[6,6a]2)(CC[6a]HO)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]C)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CC[6a]HO)(O)	122.7420	0.000	1	122.7420	0.000	1	120.9954	6.161	8	120.5345	5.740	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CN[5]HH)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CN[5]HH)(O)	121.0780	3.325	2	121.0780	11.054	2	120.9954	6.161	8	120.5345	5.740	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(N[6]C[6,6a]2)(CH3)(O)	121.4130	2.687	2	121.2425	6.784	4	120.9954	6.161	8	120.5345	5.740	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(N[6]C[6,6a]2)(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CCO){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,2|O<1>,3|C<3>}	C(N[6]C[6,6a]2)(CH3)(O)	121.0720	3.608	2	121.2425	6.784	4	120.9954	6.161	8	120.5345	5.740	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:4:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:C-4:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCC)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)2	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]Ir)(CCC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Ir<6>,1|H<1>,1|N<3>,3|C<3>}	C(N[6]C[6,6a]C[6])(CH3)2	120.2970	0.501	2	120.2970	0.251	2	120.2970	0.251	2	120.2970	0.251	2	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:N[6]-3:C[6a]-3:	C[5]-4:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H)	C(C[5]N[5,6]C[5]H)(N[6]C[6,6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])2(CC[5]O){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[5]N[5,6]C[5]H)(N[6]C[6,6a]2)(O)	121.0730	3.295	2	121.0730	10.858	2	121.0730	10.858	2	121.0730	10.858	2	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:2:3:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]C){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(H)(O)	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:2:	3:2:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a])	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(COO){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]C)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	C(N[6]C[6,6a]C[6,6])(OC)(O)	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	124.1100	0.000	1	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C)	C(N[6]C[6,6a]C[5,6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(CHO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]C){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[5,6])(H)(O)	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	121.8967	2.330	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)(O)	123.3900	0.202	4	123.3900	0.041	4	123.1236	0.386	5	121.8967	2.330	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:H-1:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)(O)	122.0580	0.000	1	122.0580	0.000	1	123.1236	0.386	5	121.8967	2.330	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:H-1:S-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(H)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHS){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(H)(S)	120.6653	1.208	4	120.6653	1.459	4	120.6653	1.459	4	121.8967	2.330	10	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[5,6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C)	C(N[6]C[6,6a]C[5,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(COO){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]C){1|C<3>,1|S<3>,3|C<4>,3|H<1>}	C(N[6]C[6,6a]C[5,6])(OC)(O)	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C)	C(N[6]C[6,6a]C[6,6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(COO){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6,6])(OC)(O)	120.9040	0.283	2	120.9040	0.080	2	120.9040	0.080	2	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[5,6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO){2|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]C){1|H<1>,2|N<3>,4|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	119.4600	0.000	1	121.3250	3.062	3	121.3250	3.062	3	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(COO){3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	122.2575	0.952	2	121.3250	3.062	3	121.3250	3.062	3	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[5,6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6]CO)(COO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[5,6a]C[5,6a]O[5])(N[6]C[6]C){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C(N[6]C[6,6a]C[6])(OC)(O)	124.3000	0.000	1	124.3000	0.000	1	124.3000	0.000	1	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(COO){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	124.4540	0.000	1	124.4540	0.000	1	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	123.9717	1.717	3	123.9717	2.947	3	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	125.0090	0.000	1	125.2607	0.048	3	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|N<3>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	125.3865	0.040	2	125.2607	0.048	3	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	123.6400	2.350	2	121.7566	5.260	5	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	119.7350	0.412	2	121.7566	5.260	5	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	122.0330	0.000	1	121.7566	5.260	5	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC[3x6])(O)	121.0150	0.000	1	121.0150	0.000	1	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	124.4730	0.000	1	122.9935	4.378	2	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	121.5140	0.000	1	122.9935	4.378	2	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	124.9315	2.815	2	124.9315	7.924	2	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	124.9430	0.000	1	124.9615	0.001	2	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO){1|Ni<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ni<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	124.9800	0.000	1	124.9615	0.001	2	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]NiH)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Ni<5>,1|C<3>,1|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	122.2070	0.000	1	122.2070	0.000	1	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	119.9980	0.000	1	119.0535	1.784	2	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	118.1090	0.000	1	119.0535	1.784	2	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	120.2280	0.263	2	121.4513	2.194	4	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	123.1880	0.000	1	121.4513	2.194	4	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	122.1610	0.000	1	121.4513	2.194	4	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC[6a])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(OC[6a])(O)	123.0520	0.000	1	123.0520	0.000	1	122.8479	5.214	27	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:S-2:S-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(SS)(S)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CSS){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C(N[6]C[6,6a]C[6])(SS)(S)	124.7150	0.296	2	124.7150	0.087	2	124.7150	0.087	2	122.6566	4.774	37	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O)	125.0480	0.000	1	125.0480	0.000	1	125.0480	0.000	1	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])2(O)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(CN[6]O){2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(N[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	C(N[6]C[6,6a]C[6])2(O)	118.4605	0.957	2	118.4605	0.915	2	118.4605	0.915	2	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C-3:O-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CCH)(O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6])(N[6]C[6]C){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	C(N[6]C[6,6a]C[6])(CCH)(O)	124.5720	0.000	1	124.5720	0.000	1	124.5720	0.000	1	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	125.2625	0.490	2	125.2625	0.240	2	125.2625	0.240	2	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:S-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(S)	124.8555	0.670	2	124.8555	0.448	2	124.8555	0.448	2	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:Se-1:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CC[6a]Se){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(Se)	124.3210	0.000	1	124.3210	0.000	1	124.3210	0.000	1	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5a]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C(C[5a]C[5a]N[5a])(N[6]C[6,6a]C[6])(O)	124.8800	0.000	1	124.8800	0.000	1	124.8800	0.000	1	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[6a]-3:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C[6])(O)	124.3650	0.000	1	124.3650	0.000	1	124.3650	0.000	1	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C(N[6]C[6,6a]C[6])(CCH)(H)	122.0430	0.000	1	122.0430	0.000	1	121.8760	0.056	2	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-3:H-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CCH)(H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|O<2>,2|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(CCH)(H)	121.7090	0.000	1	121.7090	0.000	1	121.8760	0.056	2	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(CC[6a]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	124.5250	0.000	1	124.5250	0.000	1	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CC[6a]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	125.5540	0.000	1	125.5540	0.000	1	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	125.1100	0.000	1	125.1100	0.000	1	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	127.3595	0.971	4	127.3595	0.942	4	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	125.8900	0.000	1	125.0115	8.235	6	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	126.8970	0.085	2	125.0115	8.235	6	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	125.6810	0.000	1	125.0115	8.235	6	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	122.3520	4.323	2	125.0115	8.235	6	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	126.5000	0.000	1	126.5000	0.000	1	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	119.4090	0.000	1	119.4090	0.000	1	125.3737	7.016	15	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:N[5]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(N[5]C[5]2)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CN[5]O){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(N[5]C[5]2)(O)	126.8880	0.878	2	126.8880	0.771	2	126.8880	0.771	2	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,3|C<3>,6|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	119.0810	0.000	1	119.0810	0.000	1	119.0810	0.000	1	124.4373	8.047	31	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CCH)(COO)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<2>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(CCH)(COO)	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	121.8530	0.000	1	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C)	C(N[6]C[6,6a]C[6,6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CCO){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]C){1|C<3>,2|H<1>,3|C<4>}	C(N[6]C[6,6a]C[6,6])(CH3)(O)	123.6910	0.076	2	123.6910	0.006	2	122.4877	4.347	3	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6,6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C)	C(N[6]C[6,6a]C[6,6])(CClHH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCO){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]C){1|C<3>,3|H<1>,4|C<4>}	C(N[6]C[6,6a]C[6,6])(CClHH)(O)	120.0810	0.000	1	120.0810	0.000	1	122.4877	4.347	3	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]HH)(CCO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	126.6590	0.000	1	126.6590	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,3|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	125.6930	0.000	1	125.6930	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	126.3190	0.000	1	126.3190	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CF3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCO){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(CF3)(O)	118.9530	0.000	1	118.9530	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CF3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,2|C<4>,4|H<1>}	C(N[6]C[6,6a]C[6])(CF3)(O)	127.5610	0.000	1	127.5610	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	126.1100	0.000	1	126.1100	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CN[6]CC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C(N[6]C[6,6a]C[6])(CN[6]CC)(O)	119.9090	0.000	1	119.9090	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CC[6a]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCO){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(CC[6a]CH)(O)	120.3130	0.000	1	120.3130	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CN[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C(N[6]C[6,6a]C[6])(CN[6]CH)(O)	127.0150	0.000	1	127.0150	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CHHN)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(CHHN)(O)	122.0870	0.000	1	122.0870	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CHHS)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]C){2|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(CHHS)(O)	126.4400	0.000	1	126.4400	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CCl2H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C(N[6]C[6,6a]C[6])(CCl2H)(O)	122.6580	0.000	1	122.6580	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	124.0710	0.000	1	124.0710	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	125.0220	0.000	1	125.0220	0.000	1	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	126.0270	0.000	1	125.7790	0.123	2	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	125.5310	0.000	1	125.7790	0.123	2	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(O)	124.6755	0.742	2	124.6755	0.550	2	124.4288	6.730	18	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C[5]-4:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[5]C[5]N[5]H)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[5]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,2|C<4>,5|H<1>}	C(N[6]C[6,6a]C[6])(C[5]C[5]N[5]H)(O)	124.1450	1.179	2	124.1450	1.391	2	124.1450	1.391	2	124.1510	6.099	23	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-4:O-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(CH3)(OPd)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Pd)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C(N[6]C[6,6a]C[6])(CH3)(OPd)	124.3560	0.280	2	124.3560	0.078	2	124.3560	0.078	2	124.3560	0.078	2	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP2_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	C[5,5,6]-4:N[6]-3:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6,6a]C[6])(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5,5,6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(N[6]C[6,6a]C[6])(O)	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	122.4560	8.073	154	122.4631	8.028	155
856	643	930	0:SP3_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]C){1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	C(N[6]C[6,6a]C[6])(OC)(O)	124.1160	0.000	1	124.1160	0.000	1	123.6940	0.134	3	123.6940	0.134	3	122.5660	5.179	4	122.5660	5.179	4
856	643	930	0:SP3_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-1:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(OC)(O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO){1|Br<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(N[6]C[6]C){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	C(N[6]C[6,6a]C[6])(OC)(O)	123.4830	0.013	2	123.4830	0.000	2	123.6940	0.134	3	123.6940	0.134	3	122.5660	5.179	4	122.5660	5.179	4
856	643	930	0:SP3_SP2_SP2	N[6]	C[6,6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-4:C-3:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:C[6a]-3:O-1:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C)	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CC[6a]O){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]C){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C(N[6]C[6,6a]C[6])(C[6a]C[6a]2)(O)	119.1820	0.000	1	119.1820	0.000	1	119.1820	0.000	1	119.1820	0.000	1	122.5660	5.179	4	122.5660	5.179	4
856	643	931	0:SP2_SP2_SPD5	N[6]	C[6a]	Si[5,6]	5:3:3:	3:3:3:	3:3:3:2:1:	Si[5,6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[5]-3:O[5]-2:H-1:	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H)	N[6](Si[5,6]N[5]N[6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<2>,2|C<4>,6|C<3>}	C[6a](N[6]Si[5,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	Si[5,6](N[6]C[6a]C[6])2(N[5]N[5]C)(O[5]C[5])(H){3|C<4>,5|C<3>}	117.5275	3.309	2	117.5275	10.947	2	117.5275	10.947	2	117.5275	10.947	2	117.5275	10.947	2	117.5275	10.947	2
856	643	934	0:SP2_SP2_SPD5	N[6]	C[6a]	Si[6]	5:3:3:	3:3:3:	3:3:1:1:1:	Si[6]-5:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:H-1:	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2	Si[6](N[6]C[6a]C[6])2(Cl)2(H)	N[6](Si[6]N[6]Cl2H)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Si[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,4|H<1>}	Si[6](N[6]C[6a]C[6])2(Cl)2(H){2|H<1>,5|C<3>}	119.4095	5.014	2	119.4095	25.141	2	119.4095	25.141	2	119.4095	25.141	2	119.4095	25.141	2	119.4095	25.141	2
856	643	941	0:SP2_SP2_SP2	N[6]	C[6,6a]	N	3:3:2:	3:3:3:	3:3:	C[6,6a]-3:C[6]-3:N-2:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:C-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N)	N(N[6]C[6,6a]C[6])(CC[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]N){2|C<3>,4|H<1>}	N(N[6]C[6,6a]C[6])(CC[6a]H)	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1
856	643	942	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:B-4:	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(BC[6a]3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|B<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(BC[6a]3){2|C<4>,5|C<3>}	118.7140	1.146	4	118.7140	1.314	4	118.7140	1.314	4	117.9137	2.491	8	117.9137	2.491	8	117.9137	2.491	8
856	643	942	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Ga-4:	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3){2|C<4>,5|C<3>}	115.9830	0.163	2	115.9830	0.026	2	117.1135	2.792	4	117.9137	2.491	8	117.9137	2.491	8	117.9137	2.491	8
856	643	942	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:Ga[6]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Ga-4:	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI){2|C<4>,5|C<3>}	118.2440	1.799	2	118.2440	3.236	2	117.1135	2.792	4	117.9137	2.491	8	117.9137	2.491	8	117.9137	2.491	8
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[4x6]	4:3:3:	3:3:3:	3:3:3:3:	Ga[4x6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]Ga[4x6]C[6])(C[6a]C[6a]H)2	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|Ga<4>,3|H<1>,7|C<3>}	C[6a](N[6]Ga[4x6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|N<3>}	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	114.2550	0.000	1	114.2550	0.000	1	114.2550	0.000	1	114.2550	0.000	1	114.2550	0.000	1	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6,6]	4:3:3:	3:3:3:	3:3:2:4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|C<4>,5|C<3>}	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	119.2690	0.000	1	116.1988	5.463	4	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6,6]	4:3:3:	3:3:3:	3:3:3:4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]H)2	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){2|Ga<4>,3|H<1>,6|C<3>}	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,3|N<3>}	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	115.1753	1.911	3	116.1988	5.463	4	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6,6]	4:3:3:	3:3:3:	3:3:3:4:	Ga[6,6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C)	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C){1|Ga<4>,2|C<4>,2|H<1>,4|C<3>}	C[6a](N[6]Ga[6,6]C[6])(C[6a]C[6a]C)2{1|C<3>,2|C<4>,2|H<1>,3|N<3>}	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	115.9595	0.363	2	115.9595	0.132	2	115.9595	0.132	2	115.1753	1.911	3	116.1988	5.463	4	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	3:4:3:	3:3:3:	3:2:4:4:	C[6]-3:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:O[6]-2:C-4:C-4:	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	123.1210	0.000	1	123.1210	0.000	1	123.1210	0.000	1	123.1210	0.000	1	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6]-3:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	116.5810	0.000	1	116.5810	0.000	1	115.1030	4.369	2	115.1030	4.369	2	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	3:4:3:	3:3:3:	3:3:4:4:	C[6]-3:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	113.6250	0.000	1	113.6250	0.000	1	115.1030	4.369	2	115.1030	4.369	2	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:1:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(Cl)2	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	120.7485	1.464	2	120.7485	2.145	2	121.9832	3.492	4	122.0672	3.135	6	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:1:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(Cl)2	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|H<1>,5|C<3>}	123.2180	1.495	2	123.2180	2.234	2	121.9832	3.492	4	122.0672	3.135	6	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:1:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:I-1:I-1:	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(I)2	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|I<1>}	Ga[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	122.2350	2.261	2	122.2350	5.114	2	122.2350	5.114	2	122.0672	3.135	6	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:2:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:Cl-1:	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl){2|C<4>,5|C<3>}	119.9865	0.226	2	119.9865	0.051	2	119.9865	0.051	2	118.6428	3.446	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:2:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:H-1:	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(OP)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	Ga[6](N[6]C[6a]C[6])2(OP)(H){2|C<4>,5|C<3>}	117.8005	1.556	4	117.8005	2.422	4	118.1948	3.851	6	118.6428	3.446	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:2:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:H-1:	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(OS)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	Ga[6](N[6]C[6a]C[6])2(OS)(H){2|C<4>,5|C<3>}	118.9835	3.181	2	118.9835	10.121	2	118.1948	3.851	6	118.6428	3.446	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:2:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:O-2:O-2:	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH){2|C<4>,5|C<3>}	118.9115	0.016	2	118.9115	0.000	2	118.9115	0.000	2	118.9115	0.000	2	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Ga-3:I-1:	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	118.4785	1.449	2	118.4785	2.099	2	118.4785	2.099	2	120.3360	6.348	4	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	P[5,5]-3:N[6]-3:N[6]-3:Cl-1:	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>,2|H<1>}	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	122.1935	1.773	2	122.1935	3.143	2	122.1935	3.143	2	120.3360	6.348	4	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:N-2:	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	121.9250	1.182	2	121.9250	1.398	2	121.9250	1.398	2	121.1054	3.676	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N-3:O-2:	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	119.7495	1.381	2	119.7495	1.907	2	119.7495	1.907	2	121.1054	3.676	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:N[6]-3:P-2:	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|P<2>,2|C<3>,2|H<1>,2|N<3>}	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	119.9730	0.491	2	119.9730	0.241	2	119.9730	0.241	2	121.1054	3.676	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:2:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	P[5,5]-3:N[6]-3:N[6]-3:O-2:	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>,2|H<1>}	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	122.7740	3.005	2	122.7740	9.031	2	122.7740	9.031	2	121.1054	3.676	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:As[4]-3:C[5]-4:	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C)	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|As<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C){1|Ga<4>,4|C<4>,7|C<3>}	129.0905	2.972	2	129.0905	8.833	2	129.0905	8.833	2	123.5521	14.889	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C[6a]-3:C-4:	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	123.3405	0.607	2	123.3405	0.369	2	123.3405	0.369	2	123.5521	14.889	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:3:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:In-3:C-4:	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|In<3>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH){2|C<4>,5|C<3>}	120.8888	1.318	4	120.8888	1.737	4	120.8888	1.737	4	123.5521	14.889	8	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:Cl-1:	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl){2|C<4>,5|C<3>}	120.7730	1.106	2	120.7730	1.223	2	120.7730	1.223	2	119.9727	10.659	7	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Ga-4:I-1:	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	116.0945	3.453	2	116.0945	11.922	2	116.0945	11.922	2	119.9727	10.659	7	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:P[6]-4:I-1:	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I)	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C){1|Fe<11>,1|H<1>,4|C<3>,4|C<4>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I){4|C<4>,7|C<3>}	122.8210	1.735	2	122.8210	3.011	2	122.8210	3.011	2	119.9727	10.659	7	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:1:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:Si-4:Cl-1:	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl){2|C<4>,5|C<3>}	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	119.9727	10.659	7	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:4:	Ga[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6,6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Ga<4>,2|C<4>,5|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	114.6890	0.000	1	114.6890	0.000	1	114.6890	0.000	1	117.8452	8.672	12	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:4:	Ga[6]-4:C[6]-3:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	O[6,6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|Ga<4>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<2>,1|O<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	117.8452	8.672	12	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(CCHH)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	Ga[6](N[6]C[6a]C[6])2(CCHH)2{2|C<4>,5|C<3>}	118.6930	0.024	2	118.6930	0.001	2	118.2145	8.140	8	117.8452	8.672	12	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:C-4:C-4:	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(CH3)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	Ga[6](N[6]C[6a]C[6])2(CH3)2{2|C<4>,5|C<3>}	118.0550	3.358	6	118.0550	11.274	6	118.2145	8.140	8	117.8452	8.672	12	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:3:3:	3:3:3:	3:3:4:4:	Ga[6]-4:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:In-4:C-4:	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6a](N[6]Ga[6]C[6])(C[6a]C[6a]C)2{1|In<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH){2|C<4>,5|C<3>}	119.9380	1.650	2	119.9380	2.724	2	119.9380	2.724	2	117.8452	8.672	12	120.2857	11.658	60	119.9414	12.495	65
856	643	943	0:SP2_SP-NON_SP2	N[6]	C[6a]	Ga[6]	4:4:3:	3:3:3:	3:3:1:1:	P[6]-4:Ga[6]-4:C[6a]-3:	N[6]-3:C[6a]-3:C[6a]-3:	N[6]-3:N[6]-3:I-1:I-1:	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2)	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2	Ga[6](N[6]C[6a]P[6])2(I)2	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	C[6a](N[6]Ga[6]P[6])(C[6a]C[6a]C)2{1|N<3>,2|H<1>,2|I<1>,4|C<3>}	Ga[6](N[6]C[6a]P[6])2(I)2{9|C<3>}	125.9450	1.468	2	125.9450	2.155	2	125.9450	2.155	2	125.9450	2.155	2	120.2857	11.658	60	119.9414	12.495	65
856	643	943	6:SP2_SP-NON_SP2	N[6,6]	C[6,6,6a]	Ga[6,6]	4:3:3:	3:3:3:	3:3:2:1:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6,6a]-3:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6])	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6a]Ga[6,6]C[6a])(N[6,6]Ga[6,6]C[6])(C[6,6a]C[6a]C[6]){1|Cl<2>,2|Cl<1>,1|N<3>,3|C<3>,4|H<1>}	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	123.6550	2.094	2	123.6550	4.387	2	123.6550	4.387	2	123.6550	4.387	2	123.6550	4.387	2	123.6550	4.387	2
856	643	945	0:SP2_SP2_SP3	N[6]	C[6,6a]	P	3:4:3:	3:3:3:	3:2:2:	C[6,6a]-3:C[6]-4:P-3:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:O-2:O-2:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P)	P(N[6]C[6,6a]C[6])(OC[6a])2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(POO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]P){1|C<3>,2|C<4>,5|H<1>}	P(N[6]C[6,6a]C[6])(OC[6a])2	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1	120.2080	0.000	1
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:2:1:	3:3:3:	3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.9750	0.000	1	117.9750	0.000	1	117.9750	0.000	1	117.2590	1.025	2	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:2:1:	3:3:3:	3:	C[6,6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H)	H(N[6]C[6,6a]O[6])	N[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]O[6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]O[6])	116.5430	0.000	1	116.5430	0.000	1	116.5430	0.000	1	117.2590	1.025	2	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[5a,6a])(N[6]C[5a,6]H){1|H<1>,2|C<3>,2|N<2>}	H(N[6]C[5a,6]C[6,6a])	118.9280	0.000	1	118.9280	0.000	1	118.9280	0.000	1	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6,6a]2)	117.9595	0.129	4	118.2726	0.503	5	118.2726	0.503	5	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6a]C[6a,6a])(N[6]C[6,6a]H){1|H<1>,2|C<3>,2|N<2>}	H(N[6]C[6,6a]2)	119.5250	0.000	1	118.2726	0.503	5	118.2726	0.503	5	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]N[6]H)(H){3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]H){1|N<3>,2|H<1>,3|N<2>}	H(N[6]C[6,6a]C[6])	120.4720	0.000	1	120.4720	0.000	1	120.4720	0.000	1	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.0390	0.000	1	118.0390	0.000	1	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	115.8090	0.000	1	117.1484	2.081	5	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	118.7590	0.000	1	117.1484	2.081	5	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	115.5950	0.000	1	117.1484	2.081	5	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.3810	0.000	1	117.1484	2.081	5	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.1980	0.000	1	117.1484	2.081	5	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.5764	2.006	9	119.5764	4.024	9	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]N)(H){1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|N<2>,3|N<3>}	H(N[6]C[6,6a]C[6])	122.9806	1.896	8	122.9806	3.594	8	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<1>}	H(N[6]C[6,6a]C[6])	122.0350	0.000	1	122.0350	0.000	1	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]S)(H){1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|S<1>}	H(N[6]C[6,6a]C[6])	116.8350	0.000	1	116.8350	0.000	1	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]S[6]N)(H){3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.3830	0.000	1	116.3830	0.000	1	119.9641	8.403	26	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:2:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(N[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.5680	0.000	1	117.5680	0.000	1	117.5680	0.000	1	119.6294	6.959	34	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	117.8223	2.594	3	117.5165	4.861	4	117.5165	4.861	4	117.9142	3.200	8	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	116.5990	0.000	1	117.5165	4.861	4	117.5165	4.861	4	117.9142	3.200	8	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.5240	0.000	1	118.5240	0.000	1	118.3120	2.184	4	117.9142	3.200	8	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a])	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]2)	118.5470	2.435	2	118.5470	5.931	2	118.3120	2.184	4	117.9142	3.200	8	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])2(H)	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a])	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]N[6a])2(H){1|N<3>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]N[6])(N[6]C[6,6a]H)(N[6a]C[6a]){1|H<1>,1|N<2>,3|C<3>}	H(N[6]C[6,6a]2)	117.6300	0.000	1	117.6300	0.000	1	118.3120	2.184	4	117.9142	3.200	8	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[5,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(N[6]C[5a,6]C[6,6a])	113.1770	0.000	1	113.1770	0.000	1	115.6723	18.681	4	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[5a,6]C[6,6a])	121.6120	0.000	1	121.6120	0.000	1	115.6723	18.681	4	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[5a,6]C[6,6a])	113.9500	2.933	2	113.9500	8.603	2	115.6723	18.681	4	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[5a,6]H)(N[6a]C[6a]H){1|N<3>,1|O<2>,2|O<1>,3|C<3>}	H(N[6]C[5a,6]C[6,6a])	123.1720	0.000	1	123.1720	0.000	1	123.1720	0.000	1	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|O<2>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:B[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	H(N[6]C[6,6a]B[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]B[6])	115.4395	0.011	2	115.4395	0.000	2	115.4395	0.000	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|H<1>,1|N<3>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	119.1810	0.000	1	119.1810	0.000	1	119.1810	0.000	1	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	120.4790	0.000	1	121.7610	3.287	2	120.5914	2.636	5	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	123.0430	0.000	1	121.7610	3.287	2	120.5914	2.636	5	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	120.5600	0.000	1	120.5600	0.000	1	120.5914	2.636	5	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	120.4010	0.000	1	119.4375	1.857	2	120.5914	2.636	5	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	118.4740	0.000	1	119.4375	1.857	2	120.5914	2.636	5	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	120.3007	0.347	3	120.9303	1.666	4	120.9303	1.666	4	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[5,6]H){1|C<4>,3|H<1>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	122.8190	0.000	1	120.9303	1.666	4	120.9303	1.666	4	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6,6])	120.1240	0.000	1	120.1240	0.000	1	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	116.5380	0.000	1	116.5380	0.000	1	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	118.3915	0.961	2	118.9188	0.684	4	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	119.3520	0.000	1	118.9188	0.684	4	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	119.5400	0.000	1	118.9188	0.684	4	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	119.1010	0.000	1	119.1010	0.000	1	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	118.9650	0.200	3	118.9650	0.040	3	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	118.2230	0.289	3	117.9824	0.996	5	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	116.3210	0.000	1	117.9824	0.996	5	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	118.9220	0.000	1	117.9824	0.996	5	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<2>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	120.2700	0.000	1	120.2700	0.000	1	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	115.6725	0.659	4	115.9098	0.608	5	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	116.8590	0.000	1	115.9098	0.608	5	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(H){1|B<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	121.4690	0.000	1	121.4690	0.000	1	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H)	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]P[6])(H){1|H<1>,1|N<3>,1|P<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|P<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	117.3240	3.806	2	117.3240	14.483	2	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	116.7350	0.000	1	117.0140	0.066	3	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	117.2430	0.000	1	117.0140	0.066	3	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|Br<1>,1|B<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(N[6]C[6,6a]C[6,6])	117.0640	0.000	1	117.0140	0.066	3	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	123.2060	3.487	2	120.8877	11.578	4	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	118.5695	1.037	2	120.8877	11.578	4	118.3475	4.814	31	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	119.0950	0.141	2	119.0950	0.020	2	119.0950	0.020	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[5,6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(N[6]C[6,6a]2)	121.1295	0.200	2	121.1295	0.040	2	121.1295	0.040	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]H){1|H<1>,1|N<3>,4|C<3>,4|C<4>}	H(N[6]C[6,6a]2)	117.9965	0.542	2	117.9965	0.294	2	117.9965	0.294	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|N<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.4740	0.000	1	118.4740	0.000	1	118.0368	0.656	13	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|H<1>,1|S<1>,4|C<3>}	H(N[6]C[6,6a]2)	118.6485	0.180	2	118.6485	0.033	2	118.0368	0.656	13	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|F<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]C)(N[6]C[6,6a]H){1|C<2>,5|C<3>}	H(N[6]C[6,6a]2)	119.0020	0.000	1	119.0020	0.000	1	118.0368	0.656	13	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	118.5220	0.000	1	118.2508	0.022	6	118.0368	0.656	13	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(N[6]C[6,6a]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	118.1966	0.073	5	118.2508	0.022	6	118.0368	0.656	13	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[5,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	H(N[6]C[6,6a]2)	116.5530	0.000	1	116.5530	0.000	1	118.0368	0.656	13	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6,6a]C)(N[6]C[6,6a]H){1|C<4>,4|C<3>}	H(N[6]C[6,6a]2)	116.8235	0.660	2	116.8235	0.435	2	118.0368	0.656	13	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	121.1290	0.146	2	121.1290	0.021	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	117.9860	0.543	2	117.9860	0.295	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	121.0250	0.000	1	121.0250	0.000	1	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]2)	119.5800	0.000	1	119.5800	0.000	1	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	114.5840	0.547	2	114.5840	0.300	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|N<3>,4|C<3>}	H(N[6]C[6,6a]2)	118.9863	0.614	3	118.9863	0.377	3	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	119.8575	3.317	2	119.8575	11.003	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	115.5655	0.926	2	117.2830	4.219	4	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]2)	119.0005	0.028	2	117.2830	4.219	4	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]2)	115.9700	0.856	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]2)	119.8375	0.012	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.0303	1.203	3	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]2)	119.3980	0.052	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(N[6]C[6,6a]2)	118.4785	6.920	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	118.9500	0.031	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	117.8740	0.000	1	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|Cl<1>,1|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.7630	0.317	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6,6a]2)	120.2480	0.734	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.6984	1.819	7	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.5526	4.245	77	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Rh<8>,1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6,6a]2)	115.6410	0.000	1	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.4690	0.000	1	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.9730	0.396	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.1260	8.601	2	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	118.2720	0.000	1	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]2)	118.3836	1.297	50	118.4934	10.341	159	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]N){2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.2725	0.067	2	118.2725	0.005	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]O){1|Cl<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	117.8520	0.000	1	117.8520	0.000	1	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|F<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,4|C<3>}	H(N[6]C[6,6a]2)	119.0150	0.000	1	119.0150	0.000	1	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6,6a]2)	119.9710	0.000	1	118.9067	8.063	42	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.9092	2.616	35	118.9067	8.063	42	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]2)	118.7148	4.394	6	118.9067	8.063	42	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){1|C<2>,1|O<2>,3|C<3>}	H(N[6]C[6,6a]2)	120.4470	0.000	1	120.3740	0.011	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	120.3010	0.000	1	120.3740	0.011	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(N[6]C[6,6a]2)	119.2440	0.000	1	117.7919	135.491	10	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	119.0310	0.000	1	117.7919	135.491	10	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<3>,3|C<3>}	H(N[6]C[6,6a]2)	117.0305	2.637	2	117.7919	135.491	10	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|P<4>,3|C<3>}	H(N[6]C[6,6a]2)	117.5972	15.540	6	117.7919	135.491	10	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	116.6190	0.000	1	116.6190	0.000	1	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	117.8717	1.320	6	117.1778	11.036	17	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	114.9620	0.000	1	117.1778	11.036	17	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	118.6440	0.000	1	117.1778	11.036	17	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	116.7984	4.425	9	117.1778	11.036	17	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	118.9820	0.126	2	118.9820	0.016	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]N[6a]S[6])(N[6]C[6,6a]H)(C[6a]N[6a]H){3|C<3>}	H(N[6]C[6,6a]2)	116.9390	0.000	1	116.9390	0.000	1	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(N[6]C[6,6a]2)	115.9265	1.022	2	115.9265	1.044	2	118.4273	13.740	257	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|O<1>}	H(N[6]C[6,6a]2)	118.2400	0.000	1	118.2400	0.000	1	119.5730	3.554	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	H(N[6]C[6,6a]2)	120.9060	0.000	1	120.9060	0.000	1	119.5730	3.554	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	H(N[6]C[6,6a]2)	120.5140	0.267	2	120.5140	0.071	2	120.5140	0.071	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|N<3>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	H(N[6]C[6,6a]2)	118.0360	0.000	1	118.0360	0.000	1	118.7071	0.299	7	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	H(N[6]C[6,6a]2)	119.0455	0.349	2	119.0455	0.122	2	118.7071	0.299	7	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	H(N[6]C[6,6a]2)	118.4420	0.000	1	118.2380	0.083	2	118.7071	0.299	7	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){2|N<3>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]N[6])(N[6]C[6,6a]H){1|C<4>,1|H<1>,6|C<3>}	H(N[6]C[6,6a]2)	118.0340	0.000	1	118.2380	0.083	2	118.7071	0.299	7	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6a]C[6a,6a]N[6])(C[6,6a]C[6a]O[6])(N[6]C[6,6a]H){1|H<1>,6|C<3>}	H(N[6]C[6,6a]2)	119.1735	0.186	2	119.1735	0.035	2	118.7071	0.299	7	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6])	119.4870	0.000	1	119.4870	0.000	1	119.8615	0.281	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	120.2360	0.000	1	120.2360	0.000	1	119.8615	0.281	2	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[5,3x6])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.0220	0.000	1	116.0220	0.000	1	116.0220	0.000	1	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(N[6]C[6,6a]C[6])	118.0700	0.000	1	118.0700	0.000	1	118.2427	22.575	3	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,4|N<3>}	H(N[6]C[6,6a]C[6])	118.3290	6.716	2	118.3290	45.106	2	118.2427	22.575	3	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[5]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	H(N[6]C[6,6a]C[6])	115.7315	3.330	2	115.7315	11.087	2	115.1453	14.227	4	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	H(N[6]C[6,6a]C[6])	114.5590	5.497	2	114.5590	30.218	2	115.1453	14.227	4	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	117.9883	1.220	6	117.9883	1.487	6	117.9883	1.487	6	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.1050	0.000	1	118.0695	1.861	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.0340	0.000	1	118.0695	1.861	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.2956	0.999	5	117.2956	0.999	5	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	117.1915	0.344	2	117.7034	0.793	8	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	118.1720	1.105	4	117.7034	0.793	8	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.2780	0.079	2	117.7034	0.793	8	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.4320	0.157	2	117.5582	0.306	11	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Fe<10>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.9630	0.000	1	117.5582	0.306	11	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.4000	0.075	2	117.5582	0.306	11	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.0990	0.000	1	117.5582	0.306	11	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]O)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.8828	0.682	5	117.5582	0.306	11	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.4340	0.000	1	117.4340	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	111.5020	0.000	1	111.5020	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.4667	0.320	6	117.4667	0.102	6	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.0220	0.000	1	118.0220	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	116.9315	0.308	2	116.9315	0.095	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	116.4110	0.297	2	116.4110	0.088	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,1|S<2>,1|S<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.8440	0.000	1	117.8440	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.6927	0.118	3	117.6927	0.014	3	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	119.9910	0.000	1	119.9910	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<4>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.6660	0.000	1	116.6660	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.9865	1.017	4	117.9865	1.035	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.9870	0.000	1	118.9870	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,1|H<1>,1|O<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.3910	0.000	1	118.3910	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.3940	0.120	2	117.3940	0.014	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	122.9780	0.000	1	122.9780	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|Cl<1>,1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	125.2360	0.000	1	121.2530	31.729	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.2700	0.000	1	121.2530	31.729	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.2413	1.636	3	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	119.4210	0.000	1	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.3960	0.000	1	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.0310	0.000	1	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.2825	0.054	2	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.5860	2.163	3	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.8580	0.000	1	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.4340	0.030	2	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	115.5580	0.000	1	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	116.3935	2.520	6	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.2430	1.898	2	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.9150	0.580	2	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.7787	3.392	26	118.5314	8.895	51	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.9875	2.342	19	119.1344	6.049	25	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	120.0570	1.310	2	119.1344	6.049	25	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	123.7090	0.000	1	119.1344	6.049	25	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.9253	2.942	3	119.1344	6.049	25	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	115.7597	3.420	3	118.9603	7.307	15	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.4060	0.000	1	118.9603	7.307	15	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.8167	0.208	3	118.9603	7.307	15	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	119.5573	1.991	4	118.9603	7.307	15	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.7420	0.000	1	118.9603	7.307	15	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	122.5730	0.000	1	118.9603	7.307	15	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	121.8625	1.742	2	118.9603	7.307	15	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.2850	0.000	1	120.7490	12.143	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	123.2130	0.000	1	120.7490	12.143	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.0467	0.304	6	115.7042	2.760	10	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	111.2070	0.000	1	115.7042	2.760	10	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|S<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.5010	1.209	2	115.7042	2.760	10	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.5530	0.000	1	115.7042	2.760	10	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.3210	0.000	1	118.3210	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.8087	1.758	3	120.9882	4.753	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.5270	0.000	1	120.9882	4.753	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<2>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	116.8970	2.145	2	116.8970	4.603	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.3175	0.184	4	119.2977	2.036	8	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.2780	2.172	4	119.2977	2.036	8	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Ga)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	116.0610	0.000	1	116.0610	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.5355	1.726	2	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.2481	1.980	12	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.5915	0.144	2	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.4794	1.819	7	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.9163	3.424	6	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.8930	0.617	2	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	117.9179	3.089	32	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.6479	2.314	16	118.0963	7.108	79	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	117.6040	1.121	2	117.6040	1.258	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	122.2770	0.000	1	120.9051	2.475	10	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	120.5331	1.545	8	120.9051	2.475	10	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	122.5090	0.000	1	120.9051	2.475	10	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(N[6]C[6]H){4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	120.5510	0.000	1	120.5510	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|S<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	121.0705	0.035	2	121.0705	0.001	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.4603	0.243	3	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|Cl<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	122.1987	0.990	3	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|I<1>,1|S<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.5500	0.000	1	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.4700	0.000	1	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.3650	0.000	1	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	120.0205	2.510	2	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.5548	2.849	40	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	123.4310	0.000	1	119.6736	7.210	52	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.9520	0.000	1	119.7190	3.041	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.4860	0.000	1	119.7190	3.041	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.3960	0.000	1	118.7168	8.045	5	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|S<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	121.5310	1.252	2	118.7168	8.045	5	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.5630	1.937	2	118.7168	8.045	5	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.1890	0.000	1	118.1890	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.0410	0.000	1	118.0410	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.3485	1.480	4	116.3485	2.190	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.5065	0.558	2	118.5065	0.311	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.6660	0.000	1	118.6660	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	118.3750	0.000	1	118.3750	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	120.4690	0.000	1	120.4690	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.6712	1.819	15	117.8227	3.022	19	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(N[6]C[6,6a]C[6])	118.0550	0.000	1	117.8227	3.022	19	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6a]C[6])	120.3430	0.000	1	117.8227	3.022	19	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	118.3670	0.000	1	117.8227	3.022	19	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.7990	0.000	1	117.8227	3.022	19	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(N[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	123.2450	0.000	1	123.2450	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	115.2550	0.000	1	115.2550	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.4280	0.000	1	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Li<5>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.8735	2.378	2	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.6410	0.000	1	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.9920	0.000	1	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.6090	1.987	2	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.0200	0.000	1	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.6080	0.288	2	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	H(N[6]C[6,6a]C[6])	118.2030	0.523	2	117.5557	2.144	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	115.7410	0.000	1	115.7410	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(N[6]C[6,6a]C[6])	118.7850	0.000	1	118.7850	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	115.8650	0.952	2	115.8798	0.354	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,1|S<2>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	115.6170	0.000	1	115.8798	0.354	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.1720	0.000	1	115.8798	0.354	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){2|C<3>,2|H<1>,2|S<2>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]S)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|S<2>}	H(N[6]C[6,6a]C[6])	115.1105	0.050	2	115.1105	0.003	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,1|S<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.2590	0.000	1	117.7573	2.508	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	120.3750	0.000	1	117.7573	2.508	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.5267	1.691	8	117.7573	2.508	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	117.6200	0.109	2	117.7573	2.508	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|S<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.2430	0.762	2	117.2430	0.581	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.4760	0.000	1	118.2920	0.910	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.4430	0.000	1	118.2920	0.910	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.1245	0.743	2	118.2920	0.910	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.9890	0.000	1	118.9890	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.3340	0.000	1	118.3340	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.5243	0.729	6	118.3002	1.431	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.8375	0.587	4	118.3002	1.431	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.5435	2.146	4	118.3002	1.431	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.2870	0.000	1	118.3002	1.431	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.8460	0.000	1	118.3002	1.431	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.0990	0.000	1	119.0990	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.7250	0.000	1	118.0160	1.005	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.3070	0.000	1	118.0160	1.005	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.0330	0.000	1	119.0330	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|O<2>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.1110	0.000	1	119.1110	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]O)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.9945	1.351	2	117.9945	1.826	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]B[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(N[6]C[6,6a]C[6])	117.7880	0.000	1	117.7880	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]B[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<2>}	H(N[6]C[6,6a]C[6])	118.2700	0.904	2	118.2700	0.817	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.0570	0.000	1	114.6800	3.792	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	113.3030	0.000	1	114.6800	3.792	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>}	H(N[6]C[6,6a]C[6])	112.2890	8.374	2	112.2890	70.116	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.7420	0.000	1	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(N[6]C[6,6a]C[6])	117.9160	0.000	1	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	119.1490	0.000	1	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.9856	2.508	9	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|H<1>,2|N<2>}	H(N[6]C[6,6a]C[6])	117.2790	0.000	1	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.9610	0.000	1	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.3410	0.000	1	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	123.4750	0.000	1	119.8583	5.274	16	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	117.2472	2.508	6	117.2472	6.289	6	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.5490	0.000	1	119.3540	1.296	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	H(N[6]C[6,6a]C[6])	120.1590	0.000	1	119.3540	1.296	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	114.6550	0.000	1	118.5897	8.007	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>,2|O<1>}	H(N[6]C[6,6a]C[6])	119.9013	1.300	3	118.5897	8.007	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.5650	0.000	1	117.9530	2.559	13	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.6345	0.479	2	117.9530	2.559	13	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(N[6]C[6,6a]C[6])	118.3683	2.231	3	117.9530	2.559	13	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.3225	0.391	2	117.9530	2.559	13	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.4180	0.000	1	117.9530	2.559	13	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.2940	0.000	1	117.9530	2.559	13	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.6977	2.379	3	117.9530	2.559	13	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	118.4570	0.139	2	118.4570	0.019	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|B<3>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,1|S<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.4695	0.043	2	116.4695	0.002	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.1350	0.117	2	117.5272	4.327	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	116.9224	2.893	5	117.5272	4.327	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,1|S<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.1640	0.000	1	117.5272	4.327	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	H(N[6]C[6,6a]C[6])	117.7980	0.000	1	117.5272	4.327	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.1850	2.830	2	117.5272	4.327	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,2|N<3>,2|S<1>}	H(N[6]C[6,6a]C[6])	118.1130	0.000	1	117.5272	4.327	12	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|S<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.3690	0.000	1	118.3690	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|S<2>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	116.0760	0.000	1	116.0760	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H)	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]N)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,2|F<1>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.8910	0.000	1	118.8910	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.9720	0.000	1	118.9720	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.3490	1.739	2	118.3490	3.026	2	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.8380	0.252	2	117.8307	0.327	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.1460	0.000	1	117.8307	0.327	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.5010	0.000	1	117.8307	0.327	4	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]S)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|S<1>}	H(N[6]C[6,6a]C[6])	116.1730	0.000	1	116.1730	0.000	1	118.3604	6.026	498	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.6497	4.533	12	116.6497	20.552	12	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.1230	0.000	1	118.1230	0.000	1	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	120.4280	7.112	2	119.5245	11.121	11	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6])	118.2020	0.000	1	119.5245	11.121	11	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.4640	2.859	8	119.5245	11.121	11	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.4110	0.000	1	119.7583	1.666	3	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	120.4320	0.781	2	119.7583	1.666	3	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.5420	0.257	2	118.5943	0.041	3	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[5a,6a]C[6])(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.6990	0.000	1	118.5943	0.041	3	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]C[6])(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.9327	1.550	3	118.9327	2.401	3	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.4410	0.000	1	119.2264	4.585	83	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6])	118.8313	1.398	3	119.2264	4.585	83	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	119.2614	2.193	78	119.2264	4.585	83	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	118.4650	0.000	1	119.2264	4.585	83	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Ir)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Ir)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Ir<6>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	112.2680	2.596	2	112.2680	6.742	2	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.7760	0.000	1	117.7760	0.000	1	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Os)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]Os)(H){1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|Os<7>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	123.3680	6.736	2	123.3680	45.372	2	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6])	117.9142	0.646	5	117.9142	0.417	5	118.8806	7.890	126	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H)	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	117.0010	0.000	1	117.0010	0.000	1	117.0010	0.000	1	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H)	H(N[6]C[6,6a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]N[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]N[6])	112.9740	0.000	1	112.9740	0.000	1	112.9740	0.000	1	118.4467	8.274	979	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.9730	0.000	1	119.9730	0.000	1	118.4177	1.377	4	118.4774	1.050	5	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	H(N[6]C[6,6a]C[6])	118.6760	0.000	1	118.6760	0.000	1	118.4177	1.377	4	118.4774	1.050	5	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a])(N[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,2|N<3>}	H(N[6]C[6,6a]C[6])	117.5110	0.000	2	117.5110	0.000	2	118.4177	1.377	4	118.4774	1.050	5	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:O[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(N[6]C[6]H){1|O<1>,6|C<3>}	H(N[6]C[6,6a]C[6])	118.7160	0.000	1	118.7160	0.000	1	118.7160	0.000	1	118.4774	1.050	5	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:2:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	H(N[6]C[6,6a]C[6,6])	118.6665	0.139	2	118.4404	0.697	5	119.0643	1.600	7	119.0643	1.600	7	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:2:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|O<2>}	H(N[6]C[6,6a]C[6,6])	118.9445	0.162	2	118.4404	0.697	5	119.0643	1.600	7	119.0643	1.600	7	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:2:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,2|N<3>}	H(N[6]C[6,6a]C[6,6])	116.9800	0.000	1	118.4404	0.697	5	119.0643	1.600	7	119.0643	1.600	7	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:2:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	120.6240	0.000	2	120.6240	0.000	2	119.0643	1.600	7	119.0643	1.600	7	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Mg)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	H(N[6]C[6,6a]B[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Mg)(H){1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|Mg<7>,1|B<4>,1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6,6a]B[6])	118.5900	0.000	1	118.5900	0.000	1	118.4840	0.022	2	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Sr)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H)	H(N[6]C[6,6a]B[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(B[6]B[6]N[6]Sr)(H){1|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]B[6]H){1|Sr<8>,1|B<4>,1|H<1>,1|N<3>,3|C<3>}	H(N[6]C[6,6a]B[6])	118.3780	0.000	1	118.3780	0.000	1	118.4840	0.022	2	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:B[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H)	H(N[6]C[6,6a]B[6])	N[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(N[6]B[6]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]B[6])	112.7163	1.330	3	112.7163	1.768	3	112.7163	1.768	3	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	111.2440	0.000	1	111.2440	0.000	1	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[5,6])	117.2930	0.000	1	117.2930	0.000	1	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[5,6])	119.3510	0.000	1	119.3510	0.000	1	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	H(N[6]C[6,6a]C[5,6])	112.5280	0.000	1	115.4233	21.629	7	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	113.6430	4.397	4	115.4233	21.629	7	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	120.4315	0.742	2	115.4233	21.629	7	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	118.4830	0.000	1	118.4830	0.000	1	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[5,6])	118.8515	1.812	2	118.8515	3.284	2	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[5,6])	122.9420	0.000	1	122.9420	0.000	1	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){1|Br<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(N[6]C[6,6a]C[5,6])	117.1890	0.000	1	117.1890	0.000	1	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	122.0420	0.000	1	122.0420	0.000	1	117.1381	17.248	16	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]N[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[5,6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[5,6])	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	H(N[6]C[6,6a]C[6,6])	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H)	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[4x6]N[6]H)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	118.5795	0.863	2	118.5795	0.745	2	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	119.1690	0.000	1	119.1690	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	117.1510	0.000	1	117.1510	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	119.1433	0.093	3	119.1433	0.009	3	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){1|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	114.4680	0.000	1	117.1630	14.526	2	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(N[6]C[6,6]H){2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	119.8580	0.000	1	117.1630	14.526	2	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H){1|Ru<5>,1|C<4>,1|C<5>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|Ru<4>,1|Ru<5>,1|Ru<8>,1|C<3>,1|C<4>,1|C<5>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	119.1700	0.000	1	119.1700	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	120.7540	0.081	2	118.6473	13.317	3	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	114.4340	0.000	1	118.6473	13.317	3	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	119.5243	0.763	6	119.5243	0.583	6	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	120.2550	0.000	1	120.2550	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	119.7690	0.000	1	119.7690	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	117.3910	0.000	1	117.3910	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	119.3280	0.000	1	119.3280	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	116.2000	0.000	1	116.2000	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(N[6]C[6,6a]C[6,6])	118.8480	0.000	1	118.8480	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	122.3060	0.000	1	122.3060	0.000	1	118.9073	3.237	26	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.3300	0.000	1	119.3300	0.000	1	119.3300	0.000	1	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]CC)(H){1|C<2>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(N[6]C[6]H){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	H(N[6]C[6,6a]C[6])	117.5500	0.000	1	117.5500	0.000	1	117.5500	0.000	1	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(N[6]C[6,6a]C[6])	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6]H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	H(N[6]C[6,6a]C[6])	114.9740	0.652	2	114.9740	0.425	2	114.9740	0.425	2	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CH)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	116.8790	0.000	1	116.8790	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	118.6770	0.000	1	118.6770	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[3]H)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.6480	0.000	1	119.6480	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	120.7890	0.000	1	120.7890	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	120.9500	0.000	1	120.9500	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.3070	0.683	2	119.3070	0.467	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	112.4820	0.000	1	115.9186	12.091	8	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	115.5367	1.078	4	115.9186	12.091	8	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	115.8205	6.489	2	115.9186	12.091	8	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.0790	0.000	1	115.9186	12.091	8	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.7270	0.000	1	120.7270	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	112.9180	0.000	1	112.9180	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H){1|N<3>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.7340	0.000	1	119.7340	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H){1|Fe<10>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	116.3970	0.000	1	116.3970	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.3325	0.016	2	120.3325	0.000	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Mn<8>,1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(N[6]C[6,6a]C[6])	121.5700	0.000	1	122.2223	0.419	3	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]O[6]H)(H){1|Re<8>,1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(N[6]C[6,6a]C[6])	122.5485	0.446	2	122.2223	0.419	3	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	113.0600	0.000	1	118.4820	14.122	4	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	H(N[6]C[6,6a]C[6])	120.2893	1.259	3	118.4820	14.122	4	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.7924	3.652	5	118.7924	13.340	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	122.4680	0.000	1	122.4680	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.5720	0.000	1	121.5720	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	118.4150	0.000	1	118.4150	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	119.1260	0.000	1	119.1260	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.0940	0.000	1	113.8220	24.051	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	114.7510	0.000	1	113.8220	24.051	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	116.4062	2.845	5	113.8220	24.051	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	107.4480	0.276	3	113.8220	24.051	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	118.1690	0.000	1	118.1690	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	114.8450	0.000	1	114.8450	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	121.0910	0.000	1	121.0910	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.5610	0.000	1	121.5610	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	118.6130	0.000	1	118.6130	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.6405	0.586	2	117.6405	0.344	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,6|C<3>}	H(N[6]C[6,6a]C[6])	123.2590	0.000	1	123.2590	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.5360	0.000	1	117.5360	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	115.1285	0.969	2	115.1285	0.940	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.6430	0.000	1	116.6430	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,3|H<1>,4|C<4>}	H(N[6]C[6,6a]C[6])	121.7140	0.000	1	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	110.3260	0.000	1	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	116.5350	4.781	2	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|O<2>,4|C<4>}	H(N[6]C[6,6a]C[6])	120.3930	0.000	1	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	115.1505	1.669	2	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|O<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	112.4330	0.000	1	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6])	115.3600	0.000	1	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<4>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.4790	0.000	1	116.0076	13.908	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	109.8640	5.631	2	109.8640	31.713	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Cl)(N[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.1000	0.000	1	118.1000	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.5840	0.000	1	117.8483	16.434	3	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.7700	0.000	1	117.8483	16.434	3	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	H(N[6]C[6,6a]C[6])	113.1910	0.000	1	117.8483	16.434	3	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.3640	0.000	1	116.4360	17.146	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	113.5080	0.000	1	116.4360	17.146	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	120.1480	0.000	1	120.1480	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(N[6]C[6,6a]C[6])	118.5480	0.000	1	118.5480	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a]C[6a])(N[6]C[6]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	118.9480	0.000	1	118.9480	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(N[6]C[6,6a]C[6])	118.0685	0.470	2	118.0685	0.221	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,3|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.1635	1.173	2	119.1635	1.376	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[6,6a]C[6])	116.2290	0.000	1	116.7288	8.703	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	115.5330	2.797	3	116.7288	8.703	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[6,6a]C[6])	117.0000	3.730	4	116.7288	8.703	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	115.8230	0.000	1	116.7288	8.703	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[6,6a]C[6])	120.6370	0.000	1	116.7288	8.703	10	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.3585	0.129	2	119.3585	0.017	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(N[6]C[6,6a]C[6])	120.3050	0.000	1	119.6495	0.859	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6,6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	118.9940	0.000	1	119.6495	0.859	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.7540	4.711	2	117.7540	22.191	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	H(N[6]C[6,6a]C[6])	116.6530	0.000	1	116.6530	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	118.3630	0.000	1	118.3630	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H){1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	121.2670	0.000	1	121.2670	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	H(N[6]C[6,6a]C[6])	120.0100	0.000	1	119.9815	0.002	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,3|C<3>}	H(N[6]C[6,6a]C[6])	119.9530	0.000	1	119.9815	0.002	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	H(N[6]C[6,6a]C[6])	119.9630	0.000	1	119.9630	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.4710	0.000	1	115.4710	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.8920	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	119.4370	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	112.9240	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	119.0260	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	111.0770	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.7680	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	112.3950	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	112.7730	1.932	2	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	119.4360	0.000	1	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.3543	5.196	3	115.6588	14.628	13	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	115.2850	0.000	1	116.4774	12.245	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	121.1000	0.000	1	116.4774	12.245	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	115.3340	3.337	3	116.4774	12.245	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	111.7730	0.566	2	115.6338	21.904	4	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.4945	2.402	2	115.6338	21.904	4	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.8925	2.162	2	117.8925	4.673	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	121.0290	0.000	1	121.0290	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|Br<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	119.9950	0.000	1	119.9950	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	116.3360	0.000	1	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.8440	0.000	1	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.8775	6.838	2	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.7720	3.728	2	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.9465	3.023	2	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	121.8820	0.000	1	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.4355	3.266	2	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.1690	0.000	1	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.5369	3.365	7	118.6343	10.527	19	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.5545	5.560	2	118.5545	30.913	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.6510	0.000	1	120.6510	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	122.8170	0.491	2	122.8170	0.241	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[5a]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.3230	0.000	1	121.3230	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(N[6]C[6,6a]C[6])	120.7300	0.000	1	120.7300	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	120.3087	1.733	3	118.2595	6.354	6	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.5960	0.000	1	118.2595	6.354	6	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.5175	0.050	2	118.2595	6.354	6	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	114.1550	0.000	1	114.1550	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5a]H)(H){1|H<1>,1|S<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.2010	1.628	2	119.2010	2.650	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	120.9370	0.000	1	120.1435	1.259	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	119.3500	0.000	1	120.1435	1.259	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	119.7040	0.000	1	118.1483	4.534	7	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	117.8890	2.208	6	118.1483	4.534	7	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.0460	0.000	1	116.0460	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(N[6]C[6,6a]C[6])	121.0930	0.000	1	118.4536	6.599	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	H(N[6]C[6,6a]C[6])	117.0390	0.000	1	118.4536	6.599	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	119.2640	2.831	2	118.4536	6.599	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	115.6080	0.000	1	118.4536	6.599	5	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	120.3950	1.133	2	120.3950	1.283	2	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	121.5830	0.000	1	121.5830	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	118.1375	0.342	2	117.8572	1.152	4	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	116.3470	0.000	1	117.8572	1.152	4	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	118.8070	0.000	1	117.8572	1.152	4	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<4>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	120.5390	0.000	1	120.5390	0.000	1	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|N<3>,2|O<1>,3|H<1>}	H(N[6]C[6,6a]C[6])	120.0587	3.294	12	120.0587	10.853	12	117.8890	12.099	203	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[3x6a]C[6a])(C[6,6a]C[6a,6a]N[6])(N[6]C[6]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	113.8120	0.000	1	113.8120	0.000	1	116.3880	13.272	2	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HP)(H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|C<4>,2|P<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	118.9640	0.000	1	118.9640	0.000	1	116.3880	13.272	2	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	H(N[6]C[6,6a]C[6])	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|O<1>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	116.7160	0.000	1	116.9745	0.134	2	116.9745	0.134	2	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	N[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(N[6]C[6,6a]C[6])	117.2330	0.000	1	116.9745	0.134	2	116.9745	0.134	2	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:P[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H)	H(N[6]C[6,6a]P[6])	N[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]P[6]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]P[6])	115.3957	2.245	3	115.3957	5.042	3	115.3957	5.042	3	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:P[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H)	H(N[6]C[6,6a]P[6])	N[6](C[6,6a]C[6a,6a]C[6,6a])(P[6]C[6]OO)(H){5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]P[6]H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]P[6])	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]S[6])	125.2040	0.000	1	119.4794	11.848	5	120.6347	12.449	7	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	H(N[6]C[6,6a]S[6])	118.3440	0.000	1	119.4794	11.848	5	120.6347	12.449	7	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]S[6])	115.9390	0.000	1	119.4794	11.848	5	120.6347	12.449	7	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){2|C<3>,2|O<1>,3|H<1>}	H(N[6]C[6,6a]S[6])	118.9550	0.499	2	119.4794	11.848	5	120.6347	12.449	7	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(N[6]S[6]H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(N[6]C[6,6a]S[6])	122.1190	0.000	1	122.1190	0.000	1	120.6347	12.449	7	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]N[6]OO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|C<3>,1|N<3>,2|H<1>,3|O<1>}	H(N[6]C[6,6a]S[6])	124.9270	0.000	1	124.9270	0.000	1	120.6347	12.449	7	117.8697	11.521	273	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:2:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6]O)(C[6,6a]C[6,6a]N[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	H(N[6]C[6,6a]C[5,6])	117.8680	0.000	1	117.8680	0.000	1	117.8680	0.000	1	117.8680	0.000	1	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	B[6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H)	H(N[6]C[6,6a]B[6])	N[6](B[6]N[5,6]C[6a]2)(C[6,6a]C[6,6a]2)(H){2|N<3>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6a]N[5,6]C[6a])(N[6]B[6]H){1|B<4>,2|H<1>,2|N<3>,4|C<3>}	H(N[6]C[6,6a]B[6])	118.8785	1.323	2	118.8785	1.750	2	118.8785	1.750	2	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H)	H(N[6]C[5,5,6,6]C[6,6a])	N[6](C[5,5,6,6]C[5,6,6a]C[5,5,6]2)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[5,5,6,6]C[6,6a])	122.1630	0.000	1	122.1630	0.000	1	122.1630	0.000	1	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H)	H(N[6]C[5,5,6]C[6,6a])	N[6](C[5,5,6]C[5,5,6,6]C[5,6a]O[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[5,5,6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[5,5,6]C[6,6a])	119.8790	0.000	1	119.8790	0.000	1	119.8790	0.000	1	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H)	H(N[6]C[5,6,6]C[6,6a])	N[6](C[5,6,6]C[5,5,6]C[5,6]N[6])(C[6,6a]C[6,6a]C[6a])(H){2|H<1>,3|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6,6]H)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[5,6,6]C[6,6a])	119.2950	0.123	2	119.2950	0.015	2	119.2950	0.015	2	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6,6]N[5]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	122.5865	1.446	2	122.5865	2.091	2	120.3039	2.903	9	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	118.5420	0.000	1	118.5420	0.000	1	120.3039	2.903	9	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	118.6410	0.000	1	118.4710	0.058	2	120.3039	2.903	9	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	118.3010	0.000	1	118.4710	0.058	2	120.3039	2.903	9	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	120.4980	0.000	1	120.4980	0.000	1	120.3039	2.903	9	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	120.6575	0.735	2	120.6575	0.540	2	120.3039	2.903	9	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,5|C<3>}	H(N[6]C[6,6a]C[5,6])	120.2650	0.000	1	120.2650	0.000	1	120.3039	2.903	9	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	117.9730	0.000	1	117.9730	0.000	1	118.7885	1.330	2	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]C[6])(N[6]C[6,6]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	119.6040	0.000	1	119.6040	0.000	1	118.7885	1.330	2	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6]C[5a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	118.4750	0.000	1	118.4750	0.000	1	119.6946	19.201	8	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	118.6040	0.000	1	118.6040	0.000	1	119.6946	19.201	8	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	113.6920	1.235	2	113.6920	1.524	2	119.6946	19.201	8	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	122.3680	0.000	1	122.3680	0.000	1	119.6946	19.201	8	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	122.5925	0.132	2	122.5925	0.017	2	119.6946	19.201	8	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP2_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	125.5410	0.000	1	125.5410	0.000	1	119.6946	19.201	8	119.8503	7.203	25	118.3830	8.894	1334	118.3830	8.894	1334
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[5a,6]C[6,6a])	114.8270	0.000	1	114.8270	0.000	1	117.2485	11.727	2	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H)	H(N[6]C[5a,6]C[6,6a])	N[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5a,6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(N[6]C[5a,6]C[6,6a])	119.6700	0.000	1	119.6700	0.000	1	117.2485	11.727	2	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(N[6]C[6,6a]2)	117.1285	0.313	2	117.1285	0.098	2	114.7588	4.200	20	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]2)	115.8152	0.810	4	115.8152	0.656	4	114.7588	4.200	20	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]F){2|F<1>,3|C<3>}	H(N[6]C[6,6a]2)	116.1705	0.540	2	116.1705	0.291	2	114.7588	4.200	20	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(N[6]C[6,6a]2)	113.9095	0.040	2	113.5453	4.150	10	114.7588	4.200	20	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	113.4543	2.300	8	113.5453	4.150	10	114.7588	4.200	20	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6,6a]-3:N[6]-3:C[6a]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H)	H(N[6]C[6,6a]2)	N[6](C[6,6a]C[6,6a]C[6a])2(H){1|Se<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]Se[6])(N[6]C[6,6a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(N[6]C[6,6a]2)	114.9320	2.372	2	114.9320	5.625	2	114.7588	4.200	20	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,2|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.1570	0.000	1	117.1570	0.000	1	114.7287	32.071	6	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	104.2020	0.000	1	104.2020	0.000	1	114.7287	32.071	6	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.8990	0.000	1	116.2173	11.904	3	114.7287	32.071	6	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	114.8765	3.608	2	116.2173	11.904	3	114.7287	32.071	6	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	118.3610	0.000	1	118.3610	0.000	1	114.7287	32.071	6	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:S[6]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]S[6]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]S[6])	113.1720	0.000	1	113.1720	0.000	1	113.1720	0.000	1	114.8696	9.516	29	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:2:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:N[6a]-2:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(N[6]C[6,6]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	114.4790	0.000	1	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:2:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:N[6]-3:N[6a]-2:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a])	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]N[6a])(C[5,6]C[5]2N[6])(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[5,6]H)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[5,6])	118.0510	0.000	2	118.0510	0.000	2	118.0510	0.000	2	118.0510	0.000	2	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[5,6]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	111.9710	0.000	1	111.9710	0.000	1	111.9710	0.000	1	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H){2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,5|H<1>}	H(N[6]C[6,6a]C[5,6])	104.9540	0.000	1	104.9540	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,2|O<2>,4|C<3>}	H(N[6]C[6,6a]C[5,6])	119.5720	0.000	1	119.5720	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|H<1>,4|C<4>}	H(N[6]C[6,6a]C[5,6])	115.8530	0.000	1	115.8530	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	116.6590	0.000	1	116.6590	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	118.4710	0.000	1	118.4710	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,3|H<1>,4|C<4>}	H(N[6]C[6,6a]C[5,6])	109.3680	0.000	1	112.6334	11.147	5	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[5,6])	113.4497	3.228	4	112.6334	11.147	5	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	116.3460	0.000	1	116.3460	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	112.7860	0.000	1	112.7860	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H){1|H<1>,2|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[5,6])	117.8320	0.000	1	117.8320	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	116.8200	0.000	1	116.8200	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[5,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	111.9490	0.000	1	111.9490	0.000	1	114.2939	16.416	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	H(N[6]C[6,6a]C[6,6])	115.5515	1.056	2	114.5960	3.296	3	114.5960	3.296	3	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|H<1>,1|N<3>,5|C<3>}	H(N[6]C[6,6a]C[6,6])	112.6850	0.000	1	114.5960	3.296	3	114.5960	3.296	3	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	113.1370	0.000	1	113.1370	0.000	1	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|H<1>,4|C<4>}	H(N[6]C[6,6a]C[6,6])	115.1990	0.000	1	115.1990	0.000	1	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	118.0100	0.000	1	118.0100	0.000	1	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	119.0990	0.000	1	119.0990	0.000	1	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	109.7230	0.000	1	109.7230	0.000	1	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){1|C<2>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6,6]H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>}	H(N[6]C[6,6a]C[6,6])	117.4040	0.000	1	117.4040	0.000	1	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(N[6]C[6,6a]C[6,6])	117.9590	0.000	1	117.2643	5.084	3	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6,6])	116.9170	3.073	2	117.2643	5.084	3	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	114.0840	0.000	1	114.0840	0.000	1	115.8449	9.139	10	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	113.0790	2.382	10	113.0790	5.673	10	113.2957	3.981	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(N[6]C[6,6a]C[6])	113.7533	1.059	3	113.7533	1.122	3	113.2957	3.981	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]CH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	113.6930	1.004	2	113.6930	1.008	2	113.2957	3.981	15	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	110.0830	0.000	1	110.0830	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	111.2610	0.000	1	111.2610	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	112.2570	0.000	1	112.2570	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5a]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	114.7360	0.000	1	114.7360	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	114.3525	1.633	2	111.2402	8.581	6	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	111.1235	1.627	2	111.2402	8.581	6	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	108.2445	0.496	2	111.2402	8.581	6	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	110.6340	0.000	1	110.6340	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.6915	1.917	2	115.6915	3.675	2	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	116.1380	0.000	1	116.1380	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	111.3950	0.000	1	111.3950	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	117.2810	0.000	1	117.2810	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	111.9570	0.000	1	111.9570	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	114.4410	0.000	1	114.4410	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	115.1090	0.000	1	115.1090	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	113.0860	0.368	2	111.1570	11.231	3	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	107.2990	0.000	1	111.1570	11.231	3	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.3050	0.000	1	115.3050	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]O[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	115.8430	1.109	2	115.8430	1.229	2	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	113.1370	0.000	1	113.1370	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[6,6a]C[6])	116.8390	0.000	1	116.8390	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	114.9170	0.000	1	114.9170	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	113.9150	0.000	1	113.9150	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	113.2880	0.000	1	115.0025	7.295	4	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6])	114.3295	2.945	2	115.0025	7.295	4	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	118.0630	0.000	1	115.0025	7.295	4	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){3|H<1>,5|C<3>}	H(N[6]C[6,6a]C[6])	113.1250	0.000	1	113.1250	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	111.5340	0.000	1	111.5340	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|H<1>,1|S<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	H(N[6]C[6,6a]C[6])	116.4610	0.000	1	116.4610	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	114.1770	0.000	1	114.1770	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	H(N[6]C[6,6a]C[6])	116.2560	0.000	1	113.9626	4.976	5	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,2|C<4>,5|H<1>}	H(N[6]C[6,6a]C[6])	115.7530	0.000	1	113.9626	4.976	5	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(N[6]C[6,6a]C[6])	114.5190	0.000	1	113.9626	4.976	5	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[6,6a]C[6])	112.0680	0.000	1	113.9626	4.976	5	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	H(N[6]C[6,6a]C[6])	111.2170	0.000	1	113.9626	4.976	5	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,5|H<1>}	H(N[6]C[6,6a]C[6])	113.0335	0.326	2	113.0335	0.106	2	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<2>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|N<3>,3|C<3>}	H(N[6]C[6,6a]C[6])	115.8710	0.000	1	115.8710	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	112.5680	0.000	1	114.4170	6.838	2	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(N[6]C[6,6a]C[6])	116.2660	0.000	1	114.4170	6.838	2	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	113.2210	0.000	1	113.2210	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	115.8920	0.000	1	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	111.1160	0.000	1	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	113.5710	5.667	3	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	113.5470	0.000	1	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	112.4556	2.850	7	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	109.0590	0.000	1	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	108.5860	0.000	1	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	114.7880	0.000	1	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	114.6497	1.064	3	112.8863	9.813	19	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(N[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	110.6010	0.000	1	110.6010	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	108.1900	0.000	1	110.7834	4.513	14	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	111.7180	0.000	1	110.7834	4.513	14	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	111.1890	0.000	1	110.7834	4.513	14	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	H(N[6]C[6,6a]C[6])	110.8973	2.253	11	110.7834	4.513	14	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	112.3930	0.000	1	114.6920	4.139	3	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	115.8415	0.592	2	114.6920	4.139	3	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(N[6]C[6,6a]C[6])	117.3730	1.431	2	117.3730	2.048	2	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	113.7160	0.000	1	115.5457	16.343	9	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	121.9450	0.000	1	115.5457	16.343	9	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	116.2235	1.023	2	115.5457	16.343	9	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,5|H<1>}	H(N[6]C[6,6a]C[6])	117.5870	0.000	1	115.5457	16.343	9	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	107.5070	0.000	1	115.5457	16.343	9	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.9280	0.000	1	115.5457	16.343	9	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.3905	3.936	2	115.5457	16.343	9	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<4>}	H(N[6]C[6,6a]C[6])	113.4600	0.000	1	113.4600	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	H(N[6]C[6,6a]C[6])	112.8540	0.000	1	114.3060	1.270	4	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	114.5620	0.000	1	114.3060	1.270	4	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	114.9040	0.960	2	114.3060	1.270	4	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[5]H)(H){1|Fe<10>,1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	112.2730	0.000	1	112.2730	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	115.8070	0.000	1	115.8070	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.9280	0.000	1	114.6688	13.341	6	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	114.4170	4.025	5	114.6688	13.341	6	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H){1|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6])	118.2410	0.000	1	118.2410	0.000	1	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	111.9710	0.000	3	114.3532	20.232	12	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	111.0230	0.000	1	114.3532	20.232	12	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	121.3920	0.000	1	114.3532	20.232	12	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(N[6]C[6,6a]C[6])	114.5370	0.000	1	114.3532	20.232	12	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(N[6]C[6,6a]C[6])	114.8955	5.350	6	114.3532	20.232	12	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6])	115.2515	2.293	6	115.2515	5.259	6	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(N[6]C[6,6a]C[6])	115.5850	2.406	2	115.5850	5.787	2	113.6736	9.755	130	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:N[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H){2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]C[6])	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:H-1:	C[6a]-3:C[6,6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H)	H(N[6]C[6,6a]C[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6]H){1|H<1>,1|N<3>,3|C<3>,5|C<4>}	H(N[6]C[6,6a]C[6])	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	3:4:1:	3:3:3:	3:	C[6,6a]-3:S[6]-4:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H)	H(N[6]C[6,6a]S[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]OO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(N[6]S[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(N[6]C[6,6a]S[6])	114.8800	0.000	1	114.8800	0.000	1	114.8800	0.000	1	113.8592	9.914	177	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,5a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[5,6]H){2|H<1>,3|C<3>,3|C<4>}	H(N[6]C[6,6a]C[5,6])	112.2773	0.317	3	112.2773	0.100	3	111.8920	0.661	4	114.6383	9.046	11	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[5,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H)	H(N[6]C[6,6a]C[5,6])	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(N[6]C[5,6]H){2|C<4>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[5,6])	110.7360	0.000	1	110.7360	0.000	1	111.8920	0.661	4	114.6383	9.046	11	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(N[6]C[6,6a]C[6,6])	118.4060	0.000	1	118.4060	0.000	1	116.2076	6.846	7	114.6383	9.046	11	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]H)(N[6]C[6,6]H){2|H<1>,3|C<3>,3|C<4>}	H(N[6]C[6,6a]C[6,6])	111.1430	0.000	1	111.1430	0.000	1	116.2076	6.846	7	114.6383	9.046	11	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]O[6a]O)(N[6]C[6,6]H){1|C<4>,2|H<1>,4|C<3>}	H(N[6]C[6,6a]C[6,6])	115.7320	0.000	1	115.7320	0.000	1	116.2076	6.846	7	114.6383	9.046	11	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(N[6]C[6,6a]C[6,6])	117.4440	0.000	1	117.4440	0.000	1	116.2076	6.846	7	114.6383	9.046	11	114.0723	9.880	220	114.0723	9.880	220
856	643	951	0:SP3_SP-NON_SP2	N[6]	C[6,6a]	H	4:3:1:	3:3:3:	3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N[6]-3:	N[6]-3:	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H)	H(N[6]C[6,6a]C[6,6])	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(N[6]C[6,6]H){2|C<3>,2|N<3>,4|H<1>}	H(N[6]C[6,6a]C[6,6])	116.9093	1.918	3	116.9093	3.680	3	116.2076	6.846	7	114.6383	9.046	11	114.0723	9.880	220	114.0723	9.880	220