818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3,6]	4:3:3:	3:3:4:	3:4:4:3:	B[3,6]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[6,6a]-3:P[3]-4:B[3,6]-4:C[5]-3:	C[5](B[3,6]C[6,6a]B[3,6]P[3])(N[5]C[5]C)2	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH)	B[3,6](C[6,6a]C[6,6a]C[6a])(P[3]B[3,6]C[6a]2)(B[3,6]P[3]P[6]H)(C[5]N[5]2)	C[5](B[3,6]C[6,6a]B[3,6]P[3])(N[5]C[5]C)2{1|P<4>,3|H<1>,4|C<3>}	N[5](C[5]B[3,6]N[5])(C[5]C[5]H)(CCCH){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	B[3,6](C[6,6a]C[6,6a]C[6a])(P[3]B[3,6]C[6a]2)(B[3,6]P[3]P[6]H)(C[5]N[5]2){1|H<1>,5|C<4>,8|C<3>}	127.1505	5.368	2	127.1505	28.812	2	127.1505	28.812	2	127.1505	28.812	2	127.1505	28.812	2	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	3:3:4:	3:3:3:	4:4:3:1:	N[5]-3:N[5]-3:B[3]-4:	C[5]-3:C[6a]-3:C[5]-3:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])2(B[3]C[3]2H)	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	C[5](N[5]C[6a]C[5])2(B[3]C[3]2H){4|H<1>,6|C<3>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,3|C<3>,4|C<4>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){4|C<3>}	127.4977	1.315	6	127.4977	1.728	6	127.4977	1.728	6	127.4977	1.728	6	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:3:	3:3:3:1:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	N[3]-3:C[3]-3:C[5]-3:Br-1:	C[5](B[3]C[3]N[3]Br)(N[5]C[6a]C[5])2	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H)	B[3](N[3]C[6a]C[3])(C[3]N[3]B)(C[5]N[5]2)(Br)	C[5](B[3]C[3]N[3]Br)(N[5]C[6a]C[5])2{1|B<3>,2|H<1>,5|C<3>}	N[5](C[5]B[3]N[5])(C[6a]C[6a]2)(C[5]C[5]H){1|Br<1>,1|H<1>,1|N<3>,2|C<4>,4|C<3>}	B[3](N[3]C[6a]C[3])(C[3]N[3]B)(C[5]N[5]2)(Br){6|C<3>}	126.9280	0.110	2	126.9280	0.012	2	126.9280	0.012	2	126.9280	0.012	2	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	2:2:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	Se[3]-2:Se[3]-2:C[5]-3:C-4:	C[5](B[3]Se[3]2C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	B[3](Se[3]Se[3])2(C[5]N[5]2)(CC3)	C[5](B[3]Se[3]2C)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){2|Se<2>,1|H<1>,2|C<4>}	B[3](Se[3]Se[3])2(C[5]N[5]2)(CC3){2|C<3>,2|C<4>}	127.5000	0.916	2	127.5000	0.840	2	127.5000	0.840	2	127.5000	0.840	2	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	3:2:2:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:S[3]-2:S[3]-2:C-4:	C[5](B[3]S[3]2C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	B[3](C[5]N[5]2)(S[3]S[3])2(CC3)	C[5](B[3]S[3]2C)(N[5]C[5]C)2{2|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|H<1>,2|C<4>,2|S<2>}	B[3](C[5]N[5]2)(S[3]S[3])2(CC3){2|C<3>,2|C<4>}	127.3795	0.827	2	127.3795	0.683	2	127.3795	0.683	2	127.3795	0.683	2	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	3:3:3:4:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3]-3:C[5]-3:N[3]-3:C-4:	C[5](B[3]C[3]N[3]C)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	B[3](C[3]N[3]Mn)(C[5]N[5]2)(N[3]C[3]C)(CC3)	C[5](B[3]C[3]N[3]C)(N[5]C[5]C)2{1|Mn<8>,1|C<4>,2|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	B[3](C[3]N[3]Mn)(C[5]N[5]2)(N[3]C[3]C)(CC3){2|C<3>,2|C<4>}	127.7175	2.897	2	127.7175	8.393	2	127.7175	8.393	2	127.7175	8.393	2	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	4:4:3:1:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3]-4:C[3]-4:C[5]-3:H-1:	C[5](B[3]C[3]2H)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH)	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H)	C[5](B[3]C[3]2H)(N[5]C[5]C)2{2|C<3>,4|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CCCH){2|H<1>,3|C<4>}	B[3](C[3]C[3]CH)2(C[5]N[5]2)(H){2|C<3>,2|C<4>}	127.1360	1.816	2	127.1360	3.297	2	127.1360	3.297	2	127.1360	3.297	2	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	4:4:3:3:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:C[5]-3:	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3)	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2)	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,4|C<3>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CH3){1|C<3>,4|C<4>}	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2){2|C<4>,2|H<1>,8|C<3>}	127.3675	1.655	2	127.3675	2.740	2	127.5205	1.541	8	127.5205	1.541	8	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	4:4:3:3:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:C[5]-3:	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2)	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{1|Pt<4>,3|H<1>,4|C<3>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|Pt<4>,1|C<3>,3|C<4>}	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2){2|C<4>,2|H<1>,8|C<3>}	126.6695	0.639	2	127.0187	1.270	4	127.5205	1.541	8	127.5205	1.541	8	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	4:4:3:3:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:C[5]-3:	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2)	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{4|C<3>,4|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2){2|C<4>,2|H<1>,8|C<3>}	127.3680	1.707	2	127.0187	1.270	4	127.5205	1.541	8	127.5205	1.541	8	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	4:4:3:3:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[3]-4:C[3]-4:C[6a]-3:C[5]-3:	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3)	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2)	C[5](B[3]C[6a]C[3]2)(N[5]C[5]C)2{1|Pt<4>,3|H<1>,4|C<3>}	N[5](C[5]B[3]N[5])(C[5]C[5]Pt)(CH3){1|C<3>,1|H<1>,3|C<4>}	B[3](C[3]C[6a]C[3]H)2(C[6a]C[6a]2)(C[5]N[5]2){2|C<4>,2|H<1>,8|C<3>}	128.6770	0.716	2	128.6770	0.512	2	127.5205	1.541	8	127.5205	1.541	8	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	4:5:3:3:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	B[3,6,6]-4:B[3]-5:C[5a]-3:C[5]-3:	C[5](B[3]B[3,6,6]C[5a]B[3])(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3)	B[3](B[3,6,6]C[6,6]2B[3])(B[3]B[3,6,6]C[5]HH)(C[5a]C[5a]S[5a])(C[5]N[5]2)	C[5](B[3]B[3,6,6]C[5a]B[3])(N[5]C[5]C)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]B[3]N[5])(C[5]C[5]H)(CH3){1|B<4>,1|B<5>,1|C<3>,1|C<4>,1|H<1>}	B[3](B[3,6,6]C[6,6]2B[3])(B[3]B[3,6,6]C[5]HH)(C[5a]C[5a]S[5a])(C[5]N[5]2){2|N<3>,3|H<1>,4|C<3>,6|C<4>}	128.4415	6.039	2	128.4415	36.474	2	128.4415	36.474	2	128.4415	36.474	2	127.4710	3.710	28	127.4496	4.454	30
818	542	654	0:SP2_SP2_SP3	C[5]	N[5]	B[3]	4:3:3:	3:3:4:	6:6:3:1:	B[3]-4:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	B[4x3,3x5,12x6]-6:B[4x3,3x5,12x6]-6:C[5]-3:H-1:	C[5](B[3]B[4x3,3x5,12x6]2H)(N[5]C[5]C)2	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH)	B[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H)(C[5]N[5]2)(H)	C[5](B[3]B[4x3,3x5,12x6]2H)(N[5]C[5]C)2{1|B<5>,1|C<5>,2|C<4>,2|H<1>,3|B<6>}	N[5](C[5]B[3]N[5])(C[5]C[5]C)(CCCH){1|H<1>,2|B<6>,2|C<4>}	B[3](B[4x3,3x5,12x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,4x5,12x6]H)(C[5]N[5]2)(H){1|C<5>,2|C<4>,3|B<6>,3|C<3>,4|H<1>}	126.9160	5.250	2	126.9160	27.558	2	126.9160	27.558	2	126.9160	27.558	2	127.4710	3.710	28	127.4496	4.454	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:3:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(GeCl2)	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge)	Ge(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])2(GeCl2){1|Si<5>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]C[5]Si)(C[5]N[5]Ge){1|H<1>,2|C<4>,3|C<3>}	Ge(C[5]N[5]2)(Cl)2	117.0950	0.000	1	117.0950	0.000	1	127.3285	132.401	4	127.3285	132.401	4	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:3:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(GeCl2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	Ge(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])2(GeCl2){1|Si<5>,1|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|Si<5>,2|C<4>,3|C<3>}	Ge(C[5]N[5]2)(Cl)2	137.9560	0.000	1	130.7397	128.785	3	127.3285	132.401	4	127.3285	132.401	4	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:3:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])2(GeCl2)	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H)	Ge(C[5]N[5]2)(Cl)2	C[5](N[5]C[6a]C[5])2(GeCl2){2|H<1>,4|C<3>}	N[5](C[6a]C[6a]2)(C[5]N[5]Ge)(C[5]C[5]H){1|H<1>,2|C<4>,3|C<3>}	Ge(C[5]N[5]2)(Cl)2	127.1315	13.396	2	130.7397	128.785	3	127.3285	132.401	4	127.3285	132.401	4	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Br-1:Br-1:	C[5](N[5]C[5]C)2(GeBr2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	Ge(C[5]N[5]2)(Br)2	C[5](N[5]C[5]C)2(GeBr2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	Ge(C[5]N[5]2)(Br)2	127.3500	8.723	2	127.3500	76.088	2	127.3500	76.088	2	127.1637	47.094	16	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(GeCl2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	Ge(C[5]N[5]2)(Cl)2	C[5](N[5]C[5]C)2(GeCl2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	Ge(C[5]N[5]2)(Cl)2	126.8790	6.548	2	126.8790	42.874	2	127.1931	32.337	8	127.1637	47.094	16	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[5]C)2(GeCl2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	Ge(C[5]N[5]2)(Cl)2	C[5](N[5]C[5]C)2(GeCl2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	Ge(C[5]N[5]2)(Cl)2	127.2978	6.053	6	127.2978	36.645	6	127.1931	32.337	8	127.1637	47.094	16	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:I-1:I-1:	C[5](N[5]C[5]C)2(GeII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	Ge(C[5]N[5]2)(I)2	C[5](N[5]C[5]C)2(GeII){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	Ge(C[5]N[5]2)(I)2	126.8055	11.153	2	126.8055	124.394	2	127.0623	80.765	6	127.1637	47.094	16	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:1:1:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:I-1:I-1:	C[5](N[5]C[5]C)2(GeII)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	Ge(C[5]N[5]2)(I)2	C[5](N[5]C[5]C)2(GeII){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	Ge(C[5]N[5]2)(I)2	127.1907	9.648	4	127.1907	93.078	4	127.0623	80.765	6	127.1637	47.094	16	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:3:1:	Ge-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	B[5a]-3:C[5]-3:Cl-1:	C[5](GeB[5a]Cl)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	Ge(B[5a]N[5a]2)(C[5]N[5]2)(Cl)	C[5](GeB[5a]Cl)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	Ge(B[5a]N[5a]2)(C[5]N[5]2)(Cl)	126.2825	8.817	2	126.2825	77.738	2	126.2825	77.738	2	126.2825	77.738	2	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:3:2:	Ge-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	B[5a]-3:C[5]-3:Ge-2:	C[5](GeB[5a]Ge)(N[5]C[5]C)2	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	Ge(B[5a]N[5a]2)(C[5]N[5]2)(GeB[5a])	C[5](GeB[5a]Ge)(N[5]C[5]C)2{2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	Ge(B[5a]N[5a]2)(C[5]N[5]2)(GeB[5a])	127.5135	2.732	2	127.5135	7.461	2	127.5135	7.461	2	127.5135	7.461	2	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:3:3:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]C[5]C)2(GeC[6a]2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3)	Ge(C[6a]C[6a]2)2(C[5]N[5]2)	C[5](N[5]C[5]C)2(GeC[6a]2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CH3){2|C<4>}	Ge(C[6a]C[6a]2)2(C[5]N[5]2)	127.8680	8.886	2	127.8680	78.952	2	127.8680	78.952	2	127.8680	78.952	2	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:3:3:	3:3:4:	3:4:4:	N[5]-3:N[5]-3:Ge-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:Si-4:Si-4:	C[5](N[5]C[5]C)2(GeSi2)	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH)	Ge(C[5]N[5]2)(SiSi3)2	C[5](N[5]C[5]C)2(GeSi2){2|C<4>}	N[5](C[5]N[5]Ge)(C[5]C[5]C)(CCCH){2|C<4>}	Ge(C[5]N[5]2)(SiSi3)2	127.6520	11.362	2	127.6520	129.090	2	127.6520	129.090	2	127.6520	129.090	2	126.5254	55.566	30	126.5254	55.566	30
818	542	670	0:SP2_SP2_SP2	C[5]	N[5]	Ge	3:4:3:	3:4:3:	3:1:1:	N[5]-3:C[5]-4:Ge-3:	C[6a]-3:C[5]-4:C[5]-3:	C[5]-3:Cl-1:Cl-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge)	Ge(C[5]C[5]N[5])(Cl)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2){2|C<3>,2|C<4>,2|H<1>}	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]Ge){2|C<3>,2|H<1>,4|C<4>}	Ge(C[5]C[5]N[5])(Cl)2	116.5990	0.421	2	116.5990	0.178	2	116.5990	0.178	2	116.5990	0.178	2	126.5254	55.566	30	126.5254	55.566	30
818	542	679	0:SP2_SP2_SP3	C[5]	N[5]	B[5a]	4:3:3:	3:3:4:	2:2:3:3:	B[5a]-4:N[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-4:	O[5a]-2:O[5a]-2:B[5a]-3:C[5]-3:	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2)	C[5](B[5a]B[5a]O[5a]2)(N[5]C[6a]C[5])2{2|O<2>,4|H<1>,6|C<3>}	N[5](C[5]B[5a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|B<3>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	B[5a](O[5a]C[5a,6a])2(B[5a]O[5a]2)(C[5]N[5]2){2|C<4>,6|C<3>}	125.2873	0.954	4	125.2873	0.909	4	125.2873	0.909	4	125.2873	0.909	4	125.2873	0.909	4	125.2873	0.909	4
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-2:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	143.5940	0.107	2	143.5940	0.012	2	143.5940	0.012	2	138.7023	4.946	18	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	137.9742	1.729	10	138.0868	2.222	14	138.0868	2.222	14	138.7023	4.946	18	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:P[5]-2:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]P[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(P[5]N[5]){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|P<2>,4|C<3>}	138.3682	0.718	4	138.0868	2.222	14	138.0868	2.222	14	138.7023	4.946	18	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:S[5]-2:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5])	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]S[5]){1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(S[5]N[5]){2|H<1>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	138.1190	1.154	2	138.1190	1.332	2	138.1190	1.332	2	138.7023	4.946	18	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6,6a]C[6a])(C[5,5]C[5,6]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	140.3100	0.000	1	140.3100	0.000	1	140.3100	0.000	1	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	141.5480	0.000	1	141.9380	1.607	3	141.9149	1.349	18	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ir<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ir){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	142.1330	1.728	2	141.9380	1.607	3	141.9149	1.349	18	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ni)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Ni<7>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Ni){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	142.3415	0.605	2	142.3415	0.366	2	141.9149	1.349	18	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Pd<4>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Pd){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	141.8472	1.329	11	141.8472	1.766	11	141.9149	1.349	18	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:C[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Rh)	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|Rh<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]N[5]Rh){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|H<1>,1|N<3>,5|C<3>}	141.8260	1.124	2	141.8260	1.264	2	141.9149	1.349	18	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:Ga[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]Mo)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Mo<6>,1|H<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]Mo){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,4|C<3>}	134.2650	0.000	1	134.2650	0.000	1	133.0107	1.786	3	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:C[6a]-3:Ga[5]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(Ga[5]N[5]P){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<3>,1|H<1>,1|N<3>,4|C<3>}	132.3835	1.101	2	132.3835	1.212	2	133.0107	1.786	3	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a])	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5,5])(C[6a]C[6a]2){1|B<4>,2|H<1>,7|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	134.0188	0.244	4	134.0188	0.059	4	134.0188	0.059	4	139.6110	15.140	26	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:N[5]-3:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C)	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3)	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(N[5]N[5]C){1|N<4>,2|C<3>,4|H<1>}	N[5](C[5,5]C[5,6a]C[5,5])(N[5]C[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5,6a](C[5,5]C[5,5]N[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	140.0660	0.000	1	140.0660	0.000	1	140.0660	0.000	1	138.6225	4.167	2	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	C[5,5]-3:C[5,6a]-3:C-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|F<1>,6|C<3>}	N[5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(CH3){1|B<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,5|C<3>}	137.1790	0.000	1	137.1790	0.000	1	137.1790	0.000	1	138.6225	4.167	2	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5,5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,5]C[6a]){1|H<1>,2|O<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5,5]N[5]O[5]2)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	133.6550	0.178	2	133.6550	0.032	2	133.6550	0.032	2	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]I)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	132.3185	1.066	2	132.3185	1.136	2	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){1|N<3>,2|C<4>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	131.9750	1.496	2	132.3620	0.948	4	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|P<2>,7|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]C[5]N[5]P)(C[6a]C[6a]2){2|C<4>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	132.7490	0.088	2	132.3620	0.948	4	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|Ga<4>,1|H<1>,1|I<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]Ga[5]N[5]I)(C[6a]C[6a]2){1|I<1>,2|C<4>,2|N<3>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	133.1945	0.250	2	133.1945	0.062	2	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|I<1>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]II)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	133.5960	0.277	2	133.5960	0.077	2	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]NO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	132.2260	0.601	2	132.2260	0.361	2	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	131.9330	0.000	1	131.9330	0.000	1	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	131.9902	0.989	5	131.9902	0.979	5	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,2|O<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]OO)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	133.4440	0.153	2	133.4440	0.023	2	132.5445	0.813	20	132.6455	0.844	22	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[3x5]-6:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[3x5]N[5]5)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[3x5]C[6a]){1|H<1>,4|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[3x5]N[5]5)(C[6a]C[6a]2){14|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<6>,1|H<1>,1|N<3>,4|C<3>}	135.2137	0.720	7	135.2137	0.519	7	135.2137	0.519	7	134.5431	1.006	15	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-6:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]Fe2SS)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){2|Fe<6>,1|H<1>,2|S<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]Fe2SS)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<6>,1|H<1>,1|N<3>,4|C<3>}	133.9045	0.469	2	133.9045	0.220	2	133.9045	0.220	2	134.5431	1.006	15	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:In[5,5]-6:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a])	N[5](C[5,5]C[5,6a]C[5,5])(In[5,5]N[5]3Cl2)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]In[5,5]C[6a]){2|Cl<1>,1|H<1>,2|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(In[5,5]N[5]3Cl2)(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|In<6>,1|H<1>,1|N<3>,4|C<3>}	134.0337	1.265	4	134.0337	1.599	4	134.0337	1.599	4	134.5431	1.006	15	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:6:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:In[5]-6:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5])	N[5](C[5,5]C[5,6a]C[5,5])(In[5]N[5]O[5]Cl3)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]In[5]){3|Cl<1>,1|H<1>,1|O<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(In[5]N[5]O[5]Cl3)(C[6a]C[6a]2){4|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|In<6>,1|H<1>,1|N<3>,4|C<3>}	133.8535	0.053	2	133.8535	0.003	2	133.8535	0.003	2	134.5431	1.006	15	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,5]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	Ga[5,6]-4:C[5,5]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a])	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]Ga[5,6]C[6a]){1|Ga<4>,1|H<1>,1|O<2>,6|C<3>}	N[5](Ga[5,6]Ga[5,6]N[5]O[6])(C[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2){1|O<2>,2|C<4>,2|N<3>,7|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	133.3315	0.114	2	133.3315	0.013	2	133.3315	0.013	2	133.3315	0.013	2	136.5504	14.889	85	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5,6]	N[5]	C[5a,6]	3:3:3:	3:3:1:	3:3:3:	C[5a,6]-3:N[5,6]-3:N[5]-3:	C[5,6]-3:C[5,6a]-3:H-1:	N[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<2>,2|C<4>,4|C<3>}	N[5](C[5,6]C[5a,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	127.1700	0.000	1	127.1700	0.000	1	127.1700	0.000	1	127.1700	0.000	1	127.1700	0.000	1	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:2:	3:4:3:	3:3:2:	N[5,6]-3:C[5a]-3:O[5]-2:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5])	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]O[5a])(O[5]B[5]){1|H<1>,1|N<3>,3|C<3>,4|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|N<3>,2|B<4>,2|H<1>}	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	125.9000	0.000	1	127.2673	1.415	3	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5,6]	C[5a]	3:3:2:	3:4:3:	3:3:3:	N[5,6]-3:C[5a]-3:O[5]-2:	N[5,6]-3:B[6]-4:C[5]-3:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5])	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5])	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](N[5,6]N[5,6]B[6])(C[5a]C[5a]N[5a])(O[5]B[5]){1|N<3>,2|H<1>,3|C<3>,4|F<1>}	N[5,6](N[5,6]B[5]C[6])(B[6]N[5a,6]FF)(C[5]C[5a]O[5]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[5]N[5,6]O[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|N<3>,2|B<4>,2|H<1>}	127.9510	0.158	2	127.9510	0.025	2	127.9510	0.025	2	127.9510	0.025	2	127.2673	1.415	3	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:4:4:	3:3:3:	C[5,6a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(N[5]C[5])	N[5](C[5]C[5,6a]N[5])(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(N[5]C[5]){2|C<4>,3|C<3>,5|H<1>}	N[5](C[5]C[5,6a]N[5])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>}	126.6425	0.408	2	126.6425	0.166	2	126.6425	0.166	2	126.1200	0.902	3	125.7836	3.361	9	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:4:4:	3:3:3:	C[5,6a]-3:N[5]-3:O[5]-2:	C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5])	N[5](C[5]C[5,6a]O[5])(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]I[5]){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	N[5](C[5]C[5,6a]O[5])(C[5]C[5]HH)2{1|I<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]I[5])(C[5]N[5]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	125.0750	0.000	1	125.0750	0.000	1	125.0750	0.000	1	126.1200	0.902	3	125.7836	3.361	9	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]N[5])	N[5](C[5]C[5,6a]2)(C[5]C[5]CH)(N[5]C[5])	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]N[5]){2|C<4>,3|H<1>,5|C<3>}	N[5](C[5]C[5,6a]2)(C[5]C[5]CH)(N[5]C[5]){1|O<1>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	126.0725	2.439	2	126.0725	5.948	2	126.0725	5.948	2	126.9647	5.362	3	125.7836	3.361	9	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:4:2:	3:3:3:	C[5,6a]-3:N[5]-3:C[5]-3:	C[5]-3:C[5]-4:N[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5])	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O){2|C<4>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1	126.9647	5.362	3	125.7836	3.361	9	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]O[5]O)	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)(C[5]O[5]O){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	124.9245	0.568	2	124.9245	0.322	2	124.9245	0.322	2	124.9245	0.322	2	125.7836	3.361	9	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:4:4:	3:2:3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:C[5]-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2)	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5])	C[5](C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5])(N[5]C[5]2){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)2{1|N<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]C[5]N[5]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	122.9490	0.000	1	122.9490	0.000	1	122.9490	0.000	1	122.9490	0.000	1	125.7836	3.361	9	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:2:2:	C[5a]-3:N[5]-3:S[5]-2:	C[5]-3:C[5]-3:O-1:	C[5]-3:N[5a]-2:S[5a]-2:	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)(S[5]C[5])	N[5](C[5]C[5a]S[5])(C[5]C[5]C)(O)	C[5a](C[5]N[5]S[5])(N[5a]C[5a])(S[5a]C[5a])	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)(S[5]C[5]){1|C<4>,3|C<3>}	N[5](C[5]C[5a]S[5])(C[5]C[5]C)(O){1|C<3>,1|N<2>,1|S<2>}	C[5a](C[5]N[5]S[5])(N[5a]C[5a])(S[5a]C[5a]){1|C<4>,1|O<1>,3|C<3>}	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]C)(H)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	N[5](C[5]C[5a]N[5])(C[5]N[5]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|H<1>,1|N<3>}	121.8950	0.000	1	121.8950	0.000	1	123.1103	3.560	3	123.3742	2.993	5	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	125.2840	0.000	1	125.2840	0.000	1	123.1103	3.560	3	123.3742	2.993	5	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H)	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|H<1>,2|N<2>,2|N<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,1|N<3>,2|H<1>}	122.1520	0.000	1	122.1520	0.000	1	123.1103	3.560	3	123.3742	2.993	5	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(H)	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]H)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a,6a]H)(O[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,1|N<3>,3|C<3>}	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	123.3742	2.993	5	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]N[5]){1|C<3>,2|H<1>,2|N<2>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<3>,1|H<1>,2|N<3>}	122.2990	0.000	1	122.2990	0.000	1	122.2990	0.000	1	123.3742	2.993	5	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H)	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]H)(N[5]N[5]){1|C<3>,1|N<3>,2|H<1>,2|N<2>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]N)(N[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|N<3>,2|C<3>}	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	123.1375	0.017	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:1:	3:3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5,6a]-3:C[5]-3:H-1:	C[5a]-3:C[5]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H)	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)(S[5]C[5,6a]){1|Cu<4>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5])(H){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]C[6a])(C[5]N[5]S[5])(N[5a]C[5a]Cu){1|H<1>,6|C<3>}	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	123.1375	0.017	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:2:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-2:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NN)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|H<1>,1|N<2>,1|O<2>,2|N<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NN){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(C[5]N[5]2){1|C<3>,1|N<2>,1|N<3>}	126.8090	0.000	1	126.8090	0.000	1	126.8090	0.000	1	126.8090	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,2|H<1>,2|N<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(C[5]N[5]2){1|H<1>,2|C<3>,2|N<3>}	124.3240	0.000	1	124.3240	0.000	1	124.3240	0.000	1	124.8074	0.454	7	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(C[5]N[5]2){1|C<3>,3|N<3>}	124.4267	0.526	3	124.4267	0.276	3	124.4267	0.276	3	124.8074	0.454	7	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:3:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[6a]-3:C[5]-3:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(N[5]N[5]){1|S<1>,2|H<1>,4|C<3>}	N[5](C[5]C[5a]N[5])(C[6a]C[6a]2)(C[5]N[5]S){1|O<2>,3|C<3>,3|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|N<3>,2|C<3>,2|H<1>}	125.3493	0.558	3	125.3493	0.311	3	125.3493	0.311	3	124.8074	0.454	7	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:3:	3:3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:N-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]N)(N[5]N[5]){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|N<3>}	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	124.9490	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:4:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.6980	0.156	2	125.6980	0.024	2	125.6980	0.024	2	126.2147	0.813	3	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:4:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-3:C-4:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5])	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]C)(N[5]N[5]){1|S<1>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]N[5]S)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	127.2480	0.000	1	127.2480	0.000	1	127.2480	0.000	1	126.2147	0.813	3	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:3:4:	3:3:3:	C[5a]-3:N[5]-3:S[5]-2:	C[5]-3:C[5]-3:B-4:	C[5a,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5])	N[5](C[5]C[5a]S[5])(C[5]C[5]H)(BC[6a]3)	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5])	C[5](C[5a]C[5a,5a]C[5a])(N[5]C[5]B)(S[5]C[5]){1|N<3>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]S[5])(C[5]C[5]H)(BC[6a]3){1|H<1>,2|C<3>}	C[5a](C[5a,5a]N[5a,5a,6]C[5a,6a])(C[5a]C[5a,6]C[6a])(C[5]N[5]S[5]){1|B<4>,8|C<3>}	124.7330	0.000	1	124.7330	0.000	1	124.7330	0.000	1	124.7330	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:2:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5])	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5](C[5a]C[5a]2)(N[5]C[5]O)(N[5]C[5]){1|N<2>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,1|O<1>,2|C<4>}	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	2:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5a]-2:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Fe)(N[5]N[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Fe)(N[5]N[5]H){1|N<3>,2|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|Fe<6>,1|C<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){2|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	123.8030	0.000	1	123.8030	0.000	1	123.9880	0.068	2	123.9880	0.068	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	2:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	N[5a]-2:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Zn)(N[5]N[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Zn)(N[5]N[5]H){1|N<3>,2|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|Zn<4>,1|C<3>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|Zn<4>,1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	124.1730	0.000	1	124.1730	0.000	1	123.9880	0.068	2	123.9880	0.068	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5a]-2:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<3>,2|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<2>,1|O<1>,1|O<2>,2|N<3>}	122.9530	0.000	1	121.8195	2.570	2	121.8195	2.570	2	121.8195	2.570	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:2:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5a]-2:N[5a]-2:	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a])	C[5](C[5a]N[5a]2)(C[5]N[5]N)(N[5]O[5]O){1|C<3>,1|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<3>,2|N<2>}	C[5a](C[5]C[5]N[5])(N[5a]C[5a])(N[5a]O[5a]){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	120.6860	0.000	1	121.8195	2.570	2	121.8195	2.570	2	121.8195	2.570	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	122.7675	0.613	2	121.1835	3.522	4	121.3547	1.916	7	122.0730	3.707	10	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|C<3>,1|H<1>,3|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]H)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	119.5995	0.394	2	121.1835	3.522	4	121.3547	1.916	7	122.0730	3.707	10	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a])	C[5](C[5]C[5a]N[5])(C[5a]N[5a]2)(N[5]O[5]O){1|N<3>,1|O<1>,3|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]O)(N[5a]N[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	121.5830	0.574	3	121.5830	0.329	3	121.3547	1.916	7	122.0730	3.707	10	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,1|N<3>,1|O<2>,2|N<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]N)(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	123.2545	2.891	2	123.2545	8.360	2	123.7490	4.914	3	122.0730	3.707	10	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:O[5]-2:O-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O)	N[5](C[5]C[5a]C[5])(O[5]N[5])(O)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a])	C[5](C[5a]C[5a]N[5a])(C[5]C[5a]N[5])(N[5]O[5]O){1|C<3>,2|N<2>,2|O<2>}	N[5](C[5]C[5a]C[5])(O[5]N[5])(O){1|N<2>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]O)(N[5a]O[5a]){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	124.7380	0.000	1	124.7380	0.000	1	123.7490	4.914	3	122.0730	3.707	10	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:2:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:N[5]-2:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H)	N[5](C[5]C[5a]N[5])(N[5]C[5])(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5a]N[5])(N[5]C[5])(H){1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2){1|N<2>,2|C<3>,3|H<1>}	125.9960	0.000	1	125.9960	0.000	1	125.9960	0.000	1	125.9960	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	125.1985	0.650	2	125.1985	0.422	2	125.3691	0.120	8	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5,6a]H)2{1|H<1>,1|S<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,2|H<1>,3|C<3>}	C[5a](C[5a]S[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	125.4260	0.261	6	125.4260	0.068	6	125.3691	0.120	8	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]H){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,2|C<3>,3|H<1>}	121.2040	0.000	1	121.2040	0.000	1	123.8960	5.502	3	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]H)2{1|H<1>,4|C<3>}	N[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5a]N[5])(H){1|H<1>,1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	125.2420	0.366	2	125.2420	0.134	2	123.8960	5.502	3	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	125.3185	0.050	2	125.3185	0.003	2	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Cd)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Cd)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Cd<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Cd)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	127.8600	0.000	1	127.8600	0.000	1	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Co)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Co)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Co)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	133.5263	1.827	7	133.5263	3.339	7	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Cu)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Cu<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	132.6350	0.000	1	132.2940	0.233	2	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Cu)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Cu)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Cu<5>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Cu)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	131.9530	0.000	1	132.2940	0.233	2	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]H)2{2|C<3>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,4|H<1>}	125.6530	1.510	28	125.6530	2.281	28	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Ir)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Ir)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Ir<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a,6a]Ir)(N[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,4|C<3>}	129.7580	0.000	1	129.7580	0.000	1	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Re)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Re)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Re)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Re)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	132.0415	0.671	2	132.0415	0.450	2	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Rh)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Rh)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Rh<5>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	132.8055	0.370	4	132.7526	0.117	5	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Rh)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Rh)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Rh<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Rh)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	132.5410	0.000	1	132.7526	0.117	5	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]Ru)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H)	C[5a](N[5a]C[5a]Ru)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]Ru)(N[5]C[5]H){2|C<3>,2|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>}	C[5a](N[5a]C[5a]Ru)(N[5a]C[5a])(C[5]N[5]2){2|C<3>,3|H<1>}	131.3020	0.000	1	131.3020	0.000	1	128.2645	13.713	49	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	N[5]-3:N[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[5]N[5]2)	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(C[5a]N[5a]2){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]Co)(N[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,4|C<3>}	130.0850	0.000	1	130.0850	0.000	1	128.3707	6.602	7	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	N[5]-3:N[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](N[5]C[5,6a]H)2(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	C[5](N[5]C[5,6a]H)2(C[5a]N[5a]2){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|H<1>,4|C<3>}	125.0390	1.508	2	125.0390	2.273	2	128.3707	6.602	7	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	N[5]-3:N[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[5]N[5]2)	C[5](N[5]C[5,6a]Ru)(N[5]C[5,6a]H)(C[5a]N[5a]2){4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a,6a]Ru)(N[5a]C[5a,6a])(C[5]N[5]2){1|H<1>,4|C<3>}	130.3083	0.311	3	130.3083	0.096	3	128.3707	6.602	7	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:2:3:	N[5]-3:N[5]-3:C[5a]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[5a]N[5a]2)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](N[5a]C[5a]Zn)(N[5a]O[5a])(C[5]N[5]2)	C[5](N[5]C[5,6a]Zn)(N[5]C[5,6a]H)(C[5a]N[5a]2){1|O<2>,3|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Zn<5>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a](N[5a]C[5a]Zn)(N[5a]O[5a])(C[5]N[5]2){1|H<1>,1|O<1>,2|C<3>}	127.5070	0.000	1	127.5070	0.000	1	128.3707	6.602	7	127.7343	12.352	67	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:N[5a]-3:N[5a]-2:	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5a](C[5]C[5]N[5])(N[5a]N[5a]Mn)(N[5a]N[5a])	C[5](C[5]C[5]N[5])(C[5a]N[5a]2)(N[5]C[5]H){2|Mn<6>,1|H<1>,2|N<2>,2|N<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|Mn<6>,1|C<3>,1|N<2>,1|N<3>}	C[5a](C[5]C[5]N[5])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<3>}	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	121.7765	5.153	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,4|H<1>}	123.7420	0.000	1	123.6533	0.727	3	122.3850	3.664	5	121.7765	5.153	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a])	C[5](C[5a]C[5a]N[5a])(C[5]N[5]H)(N[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|C<3>,1|N<2>,2|H<1>}	C[5a](C[5]C[5]N[5])(C[5a]N[5a]H)(N[5a]C[5a]){1|N<3>,2|C<3>,3|H<1>}	123.6090	1.201	2	123.6533	0.727	3	122.3850	3.664	5	121.7765	5.153	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-2:	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]S[5]N)(H)	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a])	C[5](C[5a]C[5a]N[5a])(C[5]S[5]H)(N[5]C[5]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	N[5](C[5]C[5a]C[5])(C[5]S[5]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5]C[5]N[5])(C[5a]S[5a]H)(N[5a]C[5a]){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	120.4825	1.067	2	120.4825	1.139	2	122.3850	3.664	5	121.7765	5.153	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(H){1|Ir<6>,1|N<3>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.6340	0.000	1	121.6340	0.000	1	121.3952	1.633	12	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Co<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Co<4>,5|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.6402	1.012	4	121.0001	1.375	9	121.3952	1.633	12	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Ir<6>,5|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.3903	1.263	4	121.0001	1.375	9	121.3952	1.633	12	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|Pt<4>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(H){1|Pt<4>,5|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8790	0.000	1	121.0001	1.375	9	121.3952	1.633	12	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H)	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]H)(H){1|H<1>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.0540	0.021	2	123.0540	0.000	2	121.3952	1.633	12	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	126.3325	0.962	2	125.1987	4.320	3	125.1987	4.320	3	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5])	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H){1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5a](C[5a]C[5a,6a]N)(N[5a]C[5a,6a]H)(C[5]C[5]N[5]){1|H<1>,1|O<1>,4|C<3>}	122.9310	0.000	1	125.1987	4.320	3	125.1987	4.320	3	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	N[5a,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H)	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O)	C[5](C[5a]N[5a,6a]C[5a])(C[5]N[5,6a]H)(N[5]C[5,6a]H){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5a]C[5])(H){1|N<3>,2|H<1>,3|C<3>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]O){1|N<3>,3|C<3>,4|H<1>}	118.4485	0.228	2	118.4485	0.052	2	118.4485	0.052	2	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){1|F<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]F)(N[5a]C[5a]H){1|C<3>,1|F<1>,1|N<3>,3|H<1>}	123.7975	0.108	2	123.7975	0.012	2	123.9197	0.273	6	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	124.5480	0.075	2	123.9808	0.436	4	123.9197	0.273	6	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:H-1:	C[5]-3:C[5a]-3:N[5a]-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H)	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]H)(N[5]N[5]H){3|C<3>,3|H<1>}	N[5](C[5]C[5a]C[5])(N[5]C[5]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	123.4135	0.128	2	123.9808	0.436	4	123.9197	0.273	6	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6]N[5a])(N[5]C[5,6a]Os)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]Os)(C[5]N[5]2)	C[5](C[5a]C[5a,6]N[5a])(N[5]C[5,6a]Os)(N[5]C[5,6a]H){1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Os<9>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6]C[5a,6]C[6])(N[5a]N[5a]Os)(C[5]N[5]2){1|N<3>,2|H<1>,3|C<3>}	131.6230	0.000	1	131.6230	0.000	1	131.6230	0.000	1	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:H-1:	C[5a,6a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]N[5a])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(C[5]N[5]2)	C[5](C[5a]C[5a,6a]N[5a])(N[5]C[5,6a]Ru)(N[5]C[5,6a]H){1|N<2>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]N[5a]Ru)(C[5]N[5]2){1|N<2>,2|H<1>,3|C<3>}	128.9960	0.000	1	128.9960	0.000	1	128.9960	0.000	1	122.9349	9.589	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O)	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5a]C[5a]O[5a])(C[5]N[5]C)(N[5]C[5]O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	122.8900	0.000	1	122.8900	0.000	1	122.8900	0.000	1	122.8900	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[6a]-3:C[5]-3:	C[5a,6a]-3:C[5]-3:N[5a]-2:	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5])	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a])	C[5](C[5a]C[5a,6a]N[5a])(C[5]C[6a]C[5])(N[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,2|N<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]O){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5]C[5]N[5])(N[5a]N[5a]){1|C<4>,1|H<1>,5|C<3>}	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	120.2760	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:N[5]-3:C[5a]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2)	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(N[5]C[6a]C[5])(C[5a]C[5a]2){1|Ir<6>,1|C<4>,1|H<1>,1|S<2>,6|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|Ir<6>,2|H<1>,7|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<4>,1|N<3>,3|C<3>}	121.2770	0.000	1	121.2770	0.000	1	121.2770	0.000	1	124.3365	18.721	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[6a]C[5])(N[5]N[5]H){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5]C[5a]N[5])(C[5]C[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(C[5]N[5]2){1|N<2>,2|C<3>,3|H<1>}	127.3960	0.000	1	127.3960	0.000	1	127.3960	0.000	1	124.3365	18.721	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cd)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cd<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cd<4>,1|C<4>,2|C<3>,2|H<1>}	123.9520	0.000	1	123.9520	0.000	1	123.8445	0.366	4	124.5530	1.510	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Co)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Co<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Co<4>,1|H<1>,2|C<3>,2|C<4>}	124.0715	0.818	2	124.0715	0.669	2	123.8445	0.366	4	124.5530	1.510	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a]-3:O[5a]-2:C[5]-3:	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[5,6a]Cu)(N[5]C[5,6a]C){1|H<1>,4|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CC[5a]HH){1|Cu<4>,1|H<1>,1|O<2>,3|C<3>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(C[5]N[5]2){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	123.2830	0.000	1	123.2830	0.000	1	123.8445	0.366	4	124.5530	1.510	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH)	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]C)(N[5]C[5]H){2|C<3>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[5]N[5]2){1|C<4>,2|C<3>,3|H<1>}	125.9700	0.652	2	125.9700	0.425	2	125.9700	0.425	2	124.5530	1.510	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:O[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	126.4370	0.000	1	126.4370	0.000	1	126.4370	0.000	1	126.2317	0.374	11	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a,5a]H)(S[5a]C[5a,5a]){1|C<4>,1|S<2>,4|C<3>}	126.1120	0.000	1	126.1120	0.000	1	126.2570	0.438	9	126.2317	0.374	11	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	126.2050	0.000	1	126.2751	0.497	8	126.2570	0.438	9	126.2317	0.374	11	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,1|H<1>,4|C<3>}	127.7390	0.000	1	126.2751	0.497	8	126.2570	0.438	9	126.2317	0.374	11	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5a](C[5]C[5,5a]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<4>,2|H<1>,3|C<3>}	126.0428	0.449	6	126.2751	0.497	8	126.2570	0.438	9	126.2317	0.374	11	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:2:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:N[5]-3:C-4:	C[5]-3:C[5a]-3:S[5a]-2:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C)	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a])	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(N[5]N[5]C){1|Re<6>,1|H<1>,3|C<3>}	N[5](C[5]C[5a]C[5])(N[5]C[5]Re)(CH3){1|H<1>,1|S<2>,2|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	126.2317	0.374	11	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Re<6>,1|C<4>,1|H<1>,1|S<2>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]C[6]N[5])(CH3){1|Re<6>,1|N<3>,4|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	122.6680	0.000	1	122.6680	0.000	1	122.5817	0.063	3	126.2458	30.528	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Pd<4>,1|H<1>,1|S<2>,2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]Pd)(CH3){1|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|N<3>,2|C<3>,2|C<4>}	122.5385	0.339	2	122.5385	0.115	2	122.5817	0.063	3	126.2458	30.528	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C){1|N<3>,5|C<3>}	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5])(CCHH){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]C){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	122.9900	0.000	1	122.9900	0.000	1	122.9900	0.000	1	126.2458	30.528	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:3:4:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Pt)(N[5]C[5]C)	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH)	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]Pt)(N[5]C[5]C){1|C<3>,1|N<2>,3|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]H)(CCCH){1|Pt<4>,1|C<3>,1|H<1>,1|N<3>}	C[5a](N[5a]N[5a]Pt)(C[5a]C[5a]H)(C[5]N[5]2){2|C<3>,2|C<4>}	133.3700	0.359	2	133.3700	0.129	2	133.3700	0.129	2	126.2458	30.528	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	2:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5a]-2:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<4>,2|N<2>}	C[5a](N[5a]C[5a])(N[5a]N[5a])(C[5]N[5]2){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	125.7560	1.114	4	125.7560	1.241	4	125.7560	1.241	4	125.7560	1.241	4	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)2	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)2{2|C<3>,5|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|S<2>,3|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,4|H<1>}	124.0378	1.285	4	124.0378	1.652	4	124.0378	1.652	4	125.0240	1.133	33	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:H-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(H)	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]C[5]O){1|Mn<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(C[5]N[5]2){1|O<2>,2|C<4>,3|H<1>}	125.6870	0.000	1	125.6870	0.000	1	125.6870	0.000	1	125.0240	1.133	33	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|C<3>,1|H<1>,1|N<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	C[5a](C[5a]N[5a]H)(N[5a]C[5a])(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	125.6355	3.303	2	125.6355	10.909	2	125.6355	10.909	2	125.0240	1.133	33	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	125.1463	0.813	12	125.1463	0.662	12	125.1463	0.662	12	125.0240	1.133	33	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]O)2{1|H<1>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	125.0662	0.776	14	125.0662	0.602	14	125.0662	0.602	14	125.0240	1.133	33	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5]-3:C[5a]-3:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O)	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]N[5])(N[5]C[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]CC)(O){3|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5]C[5]N[5])(C[5a]N[5a]H){1|H<1>,1|N<2>,1|O<1>,2|C<4>,3|C<3>}	122.9030	0.000	1	122.9030	0.000	1	122.9030	0.000	1	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a,6a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]O)2{1|H<1>,1|N<3>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	126.1105	1.149	2	126.1105	1.320	2	126.1105	1.320	2	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	126.2315	0.930	2	126.2315	0.865	2	125.5772	0.483	12	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|C<3>,1|S<2>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]H)(C[5]N[5]2){1|H<1>,2|C<4>,2|O<1>}	125.6730	0.438	2	125.6730	0.192	2	125.5772	0.483	12	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]2)(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]N[5a]H)2(C[5]N[5]2)	C[5](C[5a]C[5a]2)(N[5]C[5]O)2{1|N<2>,1|N<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	C[5a](C[5a]N[5a]H)2(C[5]N[5]2){1|C<3>,2|C<4>,2|O<1>}	125.3896	0.666	8	125.3896	0.443	8	125.5772	0.483	12	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2){1|C<3>,1|N<2>,2|C<4>,2|O<1>}	125.5985	0.533	4	125.6123	0.177	6	125.5729	0.157	8	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]H)(C[5]N[5]2){2|C<3>,2|C<4>,2|O<1>}	125.6400	0.167	2	125.6123	0.177	6	125.5729	0.157	8	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	C[5a]-3:N[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{2|C<3>,2|H<1>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]H)(C[5]N[5]2){2|C<4>,2|H<1>,2|O<1>}	125.4545	0.422	2	125.4545	0.178	2	125.5729	0.157	8	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	125.7310	0.000	1	125.7310	0.000	1	124.7000	2.126	2	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:1:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-1:	N[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O)	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.6690	0.000	1	123.6690	0.000	1	124.7000	2.126	2	125.4413	0.777	25	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:2:	3:2:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5a]-3:N[5a]-2:C[5]-3:	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]C[5]O)	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OMn)	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]N[5a]2)(N[5]C[5]H)(N[5]C[5]O){1|Mn<6>,2|C<3>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OMn){1|H<1>,1|N<2>,1|N<3>,2|C<4>}	C[5a](N[5a]C[5a]Mn)(N[5a]C[5a])(C[5]N[5]2){1|O<2>,2|C<4>,3|H<1>}	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	123.4740	0.000	1	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:2:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OCu)	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(OCu){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a]Cu)(C[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	124.8610	0.000	1	124.8610	0.000	1	126.4140	4.824	2	126.4140	4.824	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:2:	3:3:3:	C[5a]-3:N[5]-3:N[5]-3:	C[5]-3:C[5]-4:O-2:	N[5a]-3:C[5a]-3:C[5]-3:	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(ONi)	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]H)(C[5]N[5]2)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]O)2{1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,4|C<4>}	N[5](C[5]C[5a]N[5])(C[5]C[5]CC)(ONi){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[5a](N[5a]C[5a]Ni)(C[5a]N[5a]H)(C[5]N[5]2){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	127.9670	0.000	1	127.9670	0.000	1	126.4140	4.824	2	126.4140	4.824	2	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP2	C[5]	N[5]	C[5a]	3:3:3:	3:4:4:	3:3:3:	C[5]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-4:C-4:	C[5]-3:C[5a]-3:C[5a]-3:	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C)	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3)	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C)	C[5](C[5]C[5a]N[5])(C[5a]C[5a]2)(N[5]C[5]C){1|Dy<15>,1|H<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>}	N[5](C[5]C[5a]C[5])(C[5]N[5]DyO)(CH3){1|C<4>,3|C<3>}	C[5a](C[5]C[5]N[5])(C[5a]C[5a]H)(C[5a]S[5a]C){1|C<3>,1|N<3>,3|C<4>}	121.7407	1.920	6	121.7407	3.685	6	121.7407	3.685	6	121.7407	3.685	6	125.2975	10.000	233	128.2239	34.989	331
818	542	727	0:SP2_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|I<1>,1|N<3>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]I)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	131.2060	0.000	1	131.2060	0.000	1	131.3860	0.065	2	131.3860	0.065	2	131.3860	0.065	2	127.8263	38.046	3
818	542	727	0:SP2_SP2_SP3	C[5,5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[5,5]-3:N[5]-3:	C[5,5]-3:Ga[5]-4:C[6a]-3:	C[5,6a,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5])	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5])(N[5]C[6a]Ga[5]){1|H<1>,1|N<3>,1|P<2>,6|C<3>}	N[5](C[5,5]C[5,6a]C[5,5])(Ga[5]N[5]N[6]P)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,5]N[5])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,1|N<3>,4|C<3>}	131.5660	0.000	1	131.5660	0.000	1	131.3860	0.065	2	131.3860	0.065	2	131.3860	0.065	2	127.8263	38.046	3
818	542	727	0:SP2_SP2_SP3	C[5]	N[5]	C[5a]	3:3:2:	3:4:1:	3:2:3:	C[5a]-3:N[5]-3:N[5]-2:	C[5]-3:C[5]-4:H-1:	C[5a]-3:S[5a]-2:C[5]-3:	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)(N[5]C[5])	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]H)(N[5]C[5]){2|C<3>,5|H<1>}	N[5](C[5]C[5a]N[5])(C[5]C[5]HH)(H){1|C<3>,1|S<2>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[5]N[5]2){2|C<4>,3|H<1>}	120.7070	0.000	1	120.7070	0.000	1	120.7070	0.000	1	120.7070	0.000	1	120.7070	0.000	1	127.8263	38.046	3
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:2:	3:2:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:Se[5]-2:C[5]-4:	C[5,6a]-3:C[5,5]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5])	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<3>,5|H<1>}	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	117.5837	0.686	3	117.5837	0.470	3	117.5837	0.470	3	117.4030	0.444	4	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:2:	3:2:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O[5]-2:	C[5,5]-3:Se[5]-2:C[5]-4:	C[6a]-3:C[5,6a]-3:C[5,5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5])	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]CC)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5])	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]Se[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>,3|C<3>}	N[5,5](C[5,5]C[5,6a]O[5])(Se[5]C[5,6a])(C[5]C[5]CC){2|C<3>,2|H<1>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]Se[5])(C[5,5]N[5,5]O[5]){1|H<1>,2|C<4>,4|C<3>}	116.8610	0.000	1	116.8610	0.000	1	116.8610	0.000	1	117.4030	0.444	4	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:2:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:S[5]-2:	B[5]-4:C[5,5]-3:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5])(S[5]C[5])	N[5,5](B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]S[5])(C[5]C[5]H)	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5]C[5])(S[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	N[5,5](B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]S[5])(C[5]C[5]H){1|C<4>,6|C<3>}	C[5,6a](C[5,5]N[5,5]S[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|H<1>,5|C<3>}	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	112.2570	0.000	1	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,5]-3:C[5,6a]-3:N[5,5]-3:	C[5,5]-3:C[5]-3:C[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH)	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,5]C[5,6a]N[5,5])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2){1|C<4>,3|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5,5])(C[5]N[5,5]C[6a])(C[5]C[5,6a]HH){1|C<4>,5|C<3>}	C[5,6a](C[5,5]C[5,5]N[5,5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	108.6995	0.162	2	108.6995	0.026	2	108.6995	0.026	2	112.6080	9.185	6	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	C[5,6a]-3:C[5,5]-3:B[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a])	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC)	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]N[5])(B[5]C[5,6a]CC){6|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	114.5623	0.152	4	114.5623	0.023	4	114.5623	0.023	4	112.6080	9.185	6	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H)	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]N[5]H){1|C<4>,2|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]CH)(C[5]N[5]H){2|C<3>,2|H<1>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	107.5750	0.000	1	107.5750	0.000	1	107.5750	0.000	1	109.7365	9.344	2	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:N[5]-3:	C[5,6a]-3:B[5]-4:C[5,5]-3:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C)	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5])	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]B[5])(N[5]C[5,6a]C){1|F<1>,6|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,5]C[5,6a]N[5]){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,5]N[5,5]N[5])(C[5,6a]C[6a]B[5])(C[6a]C[6a]F){1|C<4>,2|F<1>,5|C<3>}	111.8980	0.000	1	111.8980	0.000	1	111.8980	0.000	1	109.7365	9.344	2	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,5]	N[5,5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6]-4:C[5,5]-3:S[5]-4:	C[5,5]-3:C[5,6a]-3:C[6a]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C)	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a]OO)	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(C[5]C[5,6]C){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,6a]C[5])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,5]N[5,5]C[5])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<1>,3|C<4>}	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	113.3528	12.653	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5a]	3:3:3:	3:4:3:	3:3:2:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]Br2)(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|Br<1>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]Br2)(C[6]C[6]H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){2|Br<1>,1|H<1>,4|C<3>}	108.0370	0.000	1	108.0370	0.000	1	107.8220	0.092	2	107.8220	0.092	2	111.0941	6.509	8	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5a]	3:3:3:	3:4:3:	3:3:2:	C[5,5a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]CC)(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a])	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,5a]C[6])(B[5]C[5,5a]CC)(C[6]C[6]H){1|C<5>,1|H<1>,1|S<2>,2|C<3>}	C[5,5a](C[5,5a]C[5a,6a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a,6a]){1|H<1>,2|C<4>,4|C<3>}	107.6070	0.000	1	107.6070	0.000	1	107.8220	0.092	2	107.8220	0.092	2	111.0941	6.509	8	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5a]	3:3:3:	4:3:3:	3:3:2:	C[5,5a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,5a]-3:C[5,6]-3:S[5a]-2:	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,5a]C[6a]2)(C[5,6]C[5,5a]C[6])(C[6]C[6]H)	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a])	C[5,6](C[5,5a]C[5,5a]S[5a])(N[5,6]B[5]C[6])(C[6]C[6]H){2|H<1>,5|C<3>}	N[5,6](B[5]C[5,5a]C[6a]2)(C[5,6]C[5,5a]C[6])(C[6]C[6]H){1|S<2>,2|H<1>,6|C<3>}	C[5,5a](C[5,5a]C[5a]B[5])(C[5,6]N[5,6]C[6])(S[5a]C[5a]){1|Si<4>,2|H<1>,4|C<3>}	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	111.0941	6.509	8	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5a]	3:3:3:	5:3:3:	3:3:3:	C[5,5a]-3:N[5,6]-3:C[6]-3:	In[5,5]-5:C[5,6]-3:C[6]-3:	N[5,5,5a]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H)	N[5,6](In[5,5]N[5,5,5a]N[5,6]ClIr)(C[5,6]C[5,5a]C[6])(C[6]C[6]P)	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H)	C[5,6](C[5,5a]N[5,5,5a]C[5a])(N[5,6]In[5,5]C[6])(C[6]C[6]H){1|Cl<1>,1|Ir<5>,1|N<3>,1|P<4>,2|H<1>,3|C<3>}	N[5,6](In[5,5]N[5,5,5a]N[5,6]ClIr)(C[5,6]C[5,5a]C[6])(C[6]C[6]P){2|H<1>,5|C<3>}	C[5,5a](N[5,5,5a]C[5,5a]In[5,5])(C[5,6]N[5,6]C[6])(C[5a]C[5a]H){1|Cl<1>,1|Ir<5>,1|N<3>,2|H<1>,3|C<3>}	113.2960	0.427	4	113.2960	0.182	4	113.2960	0.182	4	113.2960	0.182	4	111.0941	6.509	8	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,5a]	3:3:3:	6:3:3:	3:3:2:	C[5,5a]-3:N[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,6]-3:C[6]-3:	N[5,5a]-3:C[5,6]-3:N[5a]-2:	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H)	N[5,6](Si[5,5]N[5,5a]2N[5,6]NN)(C[5,6]C[5,5a]C[6])(C[6]C[6]H)	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a])	C[5,6](C[5,5a]N[5,5a]N[5a])(N[5,6]Si[5,5]C[6])(C[6]C[6]H){1|C<3>,2|H<1>,2|N<3>,4|N<2>}	N[5,6](Si[5,5]N[5,5a]2N[5,6]NN)(C[5,6]C[5,5a]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	C[5,5a](N[5,5a]Si[5,5]N[5a])(C[5,6]N[5,6]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,2|N<2>,2|N<3>}	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	110.8440	0.000	1	111.0941	6.509	8	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6])	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	109.9855	0.384	2	109.9855	0.147	2	108.6728	0.610	12	108.6728	0.610	12	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6])	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[5,6]){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	107.9640	0.000	1	107.9640	0.000	1	108.6728	0.610	12	108.6728	0.610	12	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	108.7740	0.000	1	108.7740	0.000	1	108.6728	0.610	12	108.6728	0.610	12	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|H<1>,1|O<1>,3|C<3>}	109.1380	0.338	2	109.1380	0.114	2	108.6728	0.610	12	108.6728	0.610	12	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	107.9360	0.000	1	108.1813	0.121	6	108.6728	0.610	12	108.6728	0.610	12	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	107.9950	0.301	2	108.1813	0.121	6	108.6728	0.610	12	108.6728	0.610	12	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6])	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(N[6]C[6,6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,2|H<1>}	108.3873	0.357	3	108.1813	0.121	6	108.6728	0.610	12	108.6728	0.610	12	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:2:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-2:	C[5,6]-3:C[6]-4:S[5]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a])	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO)	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a]){2|O<1>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO){4|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6])	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[6]C[6a]S[6]){1|H<1>,1|O<1>,6|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	106.3590	0.000	1	106.3590	0.000	1	106.3590	0.000	1	106.3590	0.000	1	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:N[6a]-2:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a])	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	104.2210	0.000	1	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.3630	0.298	2	105.3630	0.089	2	105.3580	0.076	4	108.1925	9.821	11	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO)	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]C[5,6]N[5,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.3530	0.372	2	105.3530	0.138	2	105.3580	0.076	4	108.1925	9.821	11	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	105.7550	0.000	1	105.7075	0.005	2	105.7075	0.005	2	108.1925	9.821	11	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	105.6600	0.000	1	105.7075	0.005	2	105.7075	0.005	2	108.1925	9.821	11	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	111.5700	0.108	4	111.5700	0.012	4	111.5700	0.012	4	108.1925	9.821	11	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6a]-3:C[5,6]-3:B[5]-4:	C[6a,6a]-3:C[5,6]-3:C[5,6a]-3:	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])	C[5,6](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[6,6a]B[5])(C[6]C[6]H){1|H<1>,2|C<4>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC){2|H<1>,5|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5]){2|C<4>,3|H<1>,5|C<3>}	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	108.1925	9.821	11	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6]-3:N[5,6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|O<1>,3|H<1>,6|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	107.0220	0.000	1	107.0220	0.000	1	107.0220	0.000	1	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5,5]-4:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[5,5]C[5,6a]3)(C[6]C[6]H)	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[5,5]C[5,6a]3)(C[6]C[6]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]B[5,5]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	108.9070	0.000	1	108.9070	0.000	1	108.9070	0.000	1	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)(C[6]C[6]N)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]CC)(C[6]C[6]N){2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	109.5630	0.000	1	109.5630	0.000	1	110.7025	2.597	2	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]Cl2)(C[6]C[5,6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){2|Cl<1>,1|B<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[5]C[5,6a]Cl2)(C[6]C[5,6]H){1|H<1>,1|N<3>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	111.8420	0.000	1	111.8420	0.000	1	110.7025	2.597	2	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	108.9270	0.000	1	108.9765	0.005	2	108.4742	0.299	9	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]C){1|H<1>,1|O<1>,2|C<3>,2|F<1>,2|N<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	109.0260	0.000	1	108.9765	0.005	2	108.4742	0.299	9	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[5,6]H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,3|H<1>}	108.3070	0.000	1	108.3070	0.000	1	108.4742	0.299	9	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H){1|B<4>,1|C<2>,1|H<1>,1|O<1>,3|C<3>}	108.5270	0.000	1	108.5270	0.000	1	108.4742	0.299	9	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	109.3120	0.000	1	108.9215	0.305	2	108.4742	0.299	9	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]C){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|C<2>,1|O<1>,2|C<3>,2|H<1>}	108.5310	0.000	1	108.9215	0.305	2	108.4742	0.299	9	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[6]C[5])(C[6]C[6,6]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|B<4>,1|O<1>,2|C<3>,3|H<1>}	107.8793	0.205	3	107.8793	0.042	3	108.4742	0.299	9	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[3]C)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	108.7230	0.000	1	108.7230	0.000	1	108.7230	0.000	1	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	105.2800	0.000	1	105.2800	0.000	1	105.2800	0.000	1	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]C){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	107.1380	0.000	1	107.1380	0.000	1	108.4748	1.089	6	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	109.7100	0.000	1	109.6710	0.003	2	108.4748	1.089	6	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	109.6320	0.000	1	109.6710	0.003	2	108.4748	1.089	6	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	108.1780	0.636	2	108.1230	0.212	3	108.4748	1.089	6	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>,3|O<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	108.0130	0.000	1	108.1230	0.212	3	108.4748	1.089	6	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:N[6]-3:	C[6,6a]-3:B[5]-4:C[5,6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-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)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]N[6])	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]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){1|H<1>,7|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]N[6]){2|H<1>,9|C<3>}	C[5,6a](C[5,6]N[5,6]N[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	112.6450	0.000	1	112.6450	0.000	1	112.6450	0.000	1	108.6863	2.349	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	109.0500	0.000	2	109.0500	0.000	2	109.0500	0.000	2	109.0500	0.000	2	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5,6a]-4:C[5,6]-3:C[6]-3:	C[5,6a]-3:C[5,6]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H)	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5,6a]C[6a,6a]2C[5,6a])(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]B[5,6a]C[6a])(C[5,6]N[5,6]C[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.1050	0.356	2	110.1050	0.127	2	110.1050	0.127	2	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H){1|B<3>,1|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.2605	0.155	2	110.2666	0.024	11	110.3413	0.089	12	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H){1|H<1>,8|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.1470	0.048	2	110.2666	0.024	11	110.3413	0.089	12	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){3|H<1>,5|C<3>}	110.3026	0.171	7	110.2666	0.024	11	110.3413	0.089	12	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	B[5]-4:C[5,6]-3:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H)	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]B[5]C[6])(C[6]N[5,6]H){1|B<4>,2|H<1>,5|C<3>}	N[5,6](B[5]C[5,6a]C[6a]2)(C[5,6]C[5,6a]C[6])(C[6]C[5,6]H){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]B[5])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	111.1620	0.000	1	111.1620	0.000	1	110.3413	0.089	12	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.9500	0.000	1	106.0965	0.043	2	105.8512	0.114	8	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	106.2430	0.000	1	106.0965	0.043	2	105.8512	0.114	8	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.4205	0.339	2	105.5597	0.115	3	105.8512	0.114	8	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.8380	0.000	1	105.5597	0.115	3	105.8512	0.114	8	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	105.9793	0.220	3	105.9793	0.048	3	105.8512	0.114	8	108.6870	4.909	22	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[6,6]-4:C[5,6]-3:S[5]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H)	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	109.3005	0.103	2	109.3005	0.011	2	109.3005	0.011	2	109.3005	0.011	2	108.5547	3.912	74	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	104.8737	0.251	3	104.8396	0.025	9	104.8396	0.025	9	104.6985	0.221	10	104.6985	0.221	10	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5])	C[5,6](C[5,6,6a]C[5,6a]C[6,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5,6a]C[6a,6a]C[5])(C[6,6a]N[6a]C[6])(C[5,6]C[6]N[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	104.8225	0.119	6	104.8396	0.025	9	104.8396	0.025	9	104.6985	0.221	10	104.6985	0.221	10	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5,6]	N[5]	C[5,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6,6a]-3:N[5]-3:C[6]-3:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5a,6,6a]-3:C[5,6a]-3:C[5,6]-3:	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5])	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6a])(N[5]C[6a]C[5])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5,6,6a](C[5a,6,6a]N[5a,6a]C[5a,6])(C[5,6a]C[6a,6a]C[5])(C[5,6]C[6]N[5]){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	103.4290	0.000	1	103.4290	0.000	1	103.4290	0.000	1	104.6985	0.221	10	104.6985	0.221	10	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,5a]	3:3:1:	5:3:3:	3:3:3:	N[5,5]-3:C[5,5a]-3:H-1:	Si[4,5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H)	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5](N[5,5]Si[4,5,5]C[5,6a])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	N[5,5](Si[4,5,5]N[5,5a]C[4]2O[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|C<4>,4|C<3>,5|H<1>}	C[5,5a](N[5,5a]Si[4,5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	112.0203	0.376	4	112.0203	0.141	4	112.0203	0.141	4	112.7303	1.295	6	113.5971	1.152	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,5a]	3:3:1:	5:3:3:	3:3:3:	N[5,5]-3:C[5,5a]-3:H-1:	Si[5,5]-5:C[5,6a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H)	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5](N[5,5]C[5,6a]Si[5,5])(C[5,5a]N[5,5a]C[5a])(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	N[5,5](Si[5,5]N[5,5a]C[6a]O[5]C)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){1|H<1>,6|C<3>}	C[5,5a](N[5,5a]Si[5,5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.1505	0.045	2	114.1505	0.002	2	114.1505	0.002	2	112.7303	1.295	6	113.5971	1.152	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,5a]	3:3:1:	6:3:3:	3:3:3:	N[5,5]-3:C[5,5a]-3:H-1:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	N[5,5a]-3:C[5]-3:C[5a]-3:	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H)	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H)	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H)	C[5](N[5,5]C[5,6a]Si[3x5])(C[5,5a]N[5,5a]C[5a])(H){1|H<1>,2|N<3>,6|C<3>}	N[5,5](Si[3x5]N[5,5a]2N[5,5]C[6a]2)(C[5,6a]C[5,6a]C[6a])(C[5]C[5,5a]H){11|C<3>,1|H<1>}	C[5,5a](N[5,5a]Si[3x5]C[5a])(C[5]N[5,5]H)(C[5a]C[5a]H){2|H<1>,2|N<3>,3|C<3>}	114.2472	0.294	8	114.2472	0.086	8	114.2472	0.086	8	114.2472	0.086	8	113.5971	1.152	14	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	105.7380	0.040	2	105.7333	0.160	6	105.7333	0.160	6	105.7333	0.160	6	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	105.3270	0.281	2	105.7333	0.160	6	105.7333	0.160	6	105.7333	0.160	6	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.3170	0.000	1	105.7333	0.160	6	105.7333	0.160	6	105.7333	0.160	6	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	105.9530	0.000	1	105.7333	0.160	6	105.7333	0.160	6	105.7333	0.160	6	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:O[5]-2:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5])	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]O[5])(O){1|H<1>,1|O<2>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(O[5]C[5]){4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|O<2>}	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	105.3200	0.000	1	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,1|C<6>,1|O<2>,2|C<3>,3|H<1>}	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|Co<10>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	106.4120	0.000	1	106.4120	0.000	1	106.6930	0.040	4	106.6930	0.040	4	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.7000	0.000	1	106.7000	0.000	1	106.6930	0.040	4	106.6930	0.040	4	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.8770	0.000	1	106.8770	0.000	1	106.6930	0.040	4	106.6930	0.040	4	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.7830	0.000	1	106.7830	0.000	1	106.6930	0.040	4	106.6930	0.040	4	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O){1|H<1>,2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	107.3170	0.000	1	106.1508	0.472	12	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	109.0270	1.384	4	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6,6]	C[5,6a]	3:3:4:	7:3:3:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:C-4:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3)	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]2Cl2)(N[5,6,6]C[5,6a]B[3x6])(C[5]C[5,6a]C)	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H)	C[5](N[5,6,6]Nb[3,3x6]N[5,6,6])(C[5,6a]C[5,6a]C[6a])(CH3){2|Cl<1>,1|B<4>,1|H<1>,2|N<3>,4|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]2C[3]2Cl2)(N[5,6,6]C[5,6a]B[3x6])(C[5]C[5,6a]C){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]N[5,6,6]C[6a])(C[5]N[5,6,6]C)(C[6a]C[6a]H){1|Nb<7>,1|B<4>,1|C<3>,2|H<1>}	109.5843	0.461	3	109.5843	0.212	3	109.5843	0.212	3	109.5843	0.212	3	109.0270	1.384	4	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|H<1>,5|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	105.9040	0.000	1	105.9040	0.000	1	105.9040	0.000	1	105.9040	0.000	1	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|H<1>}	107.7350	0.000	1	107.7350	0.000	1	107.7350	0.000	1	105.5471	0.803	8	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.2730	0.078	2	105.2730	0.006	2	105.2346	0.025	7	105.5471	0.803	8	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.1300	0.240	2	105.1300	0.058	2	105.2346	0.025	7	105.5471	0.803	8	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.3285	0.202	2	105.3285	0.041	2	105.2346	0.025	7	105.5471	0.803	8	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	105.1790	0.000	1	105.1790	0.000	1	105.2346	0.025	7	105.5471	0.803	8	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(H)	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5,6](N[5,6]C[5,6a]B[6])(B[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){1|C<3>,2|B<4>,2|H<1>}	109.3700	0.110	2	109.3700	0.012	2	109.3700	0.012	2	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:H-1:	N[5,6]-3:Ga[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(H)	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]Ga[6])(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]H)(C[6a]C[6a]H){2|Ga<4>,1|C<3>,2|H<1>}	110.3210	1.183	4	110.3210	1.400	4	110.3210	1.400	4	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	105.2820	0.355	2	105.7780	0.801	3	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	106.7700	0.000	1	105.7780	0.801	3	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	106.3200	0.000	1	106.1838	0.058	6	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	106.0280	0.303	2	106.1838	0.058	6	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	106.2423	0.245	3	106.1838	0.058	6	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	106.4070	0.331	2	106.4070	0.110	2	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[5,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	106.7240	0.000	1	106.7240	0.000	1	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]C[6a]2)(C[5]C[5,6a]O){8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	106.9530	0.000	1	106.9530	0.000	1	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	106.1720	0.000	1	106.0330	0.102	6	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	105.8035	0.552	2	106.0330	0.102	6	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|B<4>,1|C<3>,1|N<2>,2|H<1>}	106.1397	0.151	3	106.0330	0.102	6	106.1645	0.229	19	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,3|C<3>}	106.2590	0.000	1	106.2590	0.000	1	106.3780	0.074	3	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:B[6]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O)	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]B[6])(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[5,6](C[5,6]C[5,6a]N[6])(B[6]N[6,6]FF)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[5]N[5,6]O){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	106.4375	0.357	2	106.4375	0.128	2	106.3780	0.074	3	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.9480	0.000	1	105.9480	0.000	1	105.8540	0.018	2	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.7600	0.000	1	105.7600	0.000	1	105.8540	0.018	2	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	106.1490	0.000	1	106.1490	0.000	1	106.1573	0.376	3	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	106.7750	0.000	1	106.7750	0.000	1	106.1573	0.376	3	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|N<3>,2|H<1>,4|C<3>}	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	105.5480	0.000	1	105.5480	0.000	1	106.1573	0.376	3	106.8625	2.599	33	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|H<1>,2|C<4>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.4275	0.247	2	105.4275	0.061	2	105.5132	0.069	8	105.5068	0.144	13	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.2985	0.361	2	105.3457	0.072	3	105.5132	0.069	8	105.5068	0.144	13	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.4400	0.000	1	105.3457	0.072	3	105.5132	0.069	8	105.5068	0.144	13	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O)	N[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]2)(O){1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O){1|O<2>,2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	105.7380	0.111	3	105.7380	0.012	3	105.5132	0.069	8	105.5068	0.144	13	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6a]C[5,6])(O){1|C<4>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	105.4313	0.623	4	105.4313	0.388	4	105.4313	0.388	4	105.5068	0.144	13	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	N[5,6]-3:C[5,6a]-3:O-1:	C[5,5,6]-4:C[6,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5,6a]C[5,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5,6a]O){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	105.7570	0.000	1	105.7570	0.000	1	105.7570	0.000	1	105.5068	0.144	13	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|C<6>,1|O<2>,2|C<3>,3|H<1>}	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|Co<10>,1|C<4>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|C<6>,1|O<2>,2|H<1>}	107.6750	0.000	1	107.6750	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.4860	0.342	2	106.4397	0.065	3	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.3470	0.000	1	106.4397	0.065	3	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	107.2340	0.000	1	107.2340	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	106.7945	0.226	2	106.7945	0.051	2	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.6800	0.000	1	106.6800	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	107.2470	0.000	1	107.2470	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	106.4020	0.000	1	106.4020	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.6341	0.281	8	106.6341	0.079	8	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	105.6890	0.000	2	105.6890	0.000	2	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	106.0870	0.000	1	106.0870	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.1030	0.000	1	107.1030	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.5790	0.000	1	106.5790	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.2450	0.000	1	106.2450	0.000	1	106.6088	0.227	24	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5,6]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	105.8690	0.000	1	105.8690	0.000	1	105.8690	0.000	1	106.5792	0.239	25	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O)	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|N<3>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	106.1000	0.000	1	106.1000	0.000	1	106.1000	0.000	1	106.0894	0.102	5	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.2420	0.000	1	106.2420	0.000	1	106.0867	0.135	4	106.0894	0.102	5	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	105.8370	0.000	1	105.8370	0.000	1	106.0867	0.135	4	106.0894	0.102	5	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	105.7370	0.000	1	105.7370	0.000	1	106.0867	0.135	4	106.0894	0.102	5	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.5310	0.000	1	106.5310	0.000	1	106.0867	0.135	4	106.0894	0.102	5	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5,6]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]N[5,6]C[6a])(C[5]N[5,6]C[6a])(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	106.4180	0.000	1	106.4180	0.000	1	106.4180	0.000	1	106.4180	0.000	1	106.3916	1.429	86	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:1:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H){1|N<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	103.2890	0.000	1	103.9403	0.325	3	103.9403	0.325	3	103.9403	0.325	3	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:1:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|H<1>,1|O<1>,4|C<3>}	104.1820	0.000	1	103.9403	0.325	3	103.9403	0.325	3	103.9403	0.325	3	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:1:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]H)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|H<1>,3|C<3>}	104.3500	0.000	1	103.9403	0.325	3	103.9403	0.325	3	103.9403	0.325	3	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,5|C<3>}	103.6050	0.000	1	103.6050	0.000	1	103.7927	1.316	3	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCO)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	N[5](C[5]C[5,5a]O)2(CCO){2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]Br)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>}	103.8865	1.606	2	103.8865	2.579	2	103.7927	1.316	3	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	104.4670	0.000	1	104.3910	0.012	2	104.4703	0.049	6	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a,6]C[5])(C[5a]N[5a,6]C)(C[5]N[5]O){1|O<1>,3|C<3>}	104.3150	0.000	1	104.3910	0.012	2	104.4703	0.049	6	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	104.5140	0.458	2	104.5140	0.210	2	104.4703	0.049	6	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(O){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	104.5060	0.083	2	104.5060	0.007	2	104.4703	0.049	6	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	104.5030	0.000	1	104.4770	0.001	2	104.4770	0.001	2	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5a,6]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2)	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a,6])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5a,6]C[6,6a]N[5a,6])(C[5,5a]C[5a]C[5])(C[5]N[5]O){1|O<1>,5|C<3>}	104.4510	0.000	1	104.4770	0.001	2	104.4770	0.001	2	104.2867	0.389	11	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:2:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	N[5](C[5]C[5,5a]O)2(CCHH){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	104.3110	0.000	1	104.3110	0.000	1	104.3110	0.000	1	104.3110	0.000	1	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	103.9450	0.105	2	103.9909	0.249	8	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	103.8690	0.000	1	103.9909	0.249	8	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	104.0336	0.653	5	103.9909	0.249	8	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|O<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	103.7730	0.000	1	103.9310	0.050	2	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CC[6a]HH){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	104.0890	0.000	1	103.9310	0.050	2	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	103.7621	0.911	9	103.7621	0.831	9	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]N[5a])(C[5]N[5]O){1|O<1>,2|C<4>,3|C<3>}	104.2820	0.000	1	104.2820	0.000	1	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	N[5](C[5]C[5,5a]O)2(CCHH){2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]S[5a])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	104.8460	0.000	1	104.8460	0.000	1	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|O<1>,1|S<2>,2|C<3>}	N[5](C[5]C[5,5a]O)2(CCHH){2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[6a]S[5a])(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	105.0215	0.159	2	105.0215	0.025	2	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	N[5](C[5]C[5,5a]O)2(CCHH){2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]S[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	105.0430	0.000	1	105.0430	0.000	1	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CCHH)	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	N[5](C[5]C[5,5a]O)2(CCHH){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]S[5a]C[5])(C[5a]C[5a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>}	105.0840	0.000	1	105.0840	0.000	1	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CH3)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,5a]O)2(CH3){2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	104.1192	0.423	10	104.1192	0.179	10	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]O)2(CN[6]HH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	N[5](C[5]C[5,5a]O)2(CN[6]HH){2|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]N[5a]C)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>}	104.6685	0.175	2	104.6685	0.031	2	104.1480	0.444	37	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:4:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(O){1|S<2>,3|C<3>}	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH){1|C<3>,1|S<2>}	C[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]S[5a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	104.6890	0.000	1	104.6890	0.000	1	104.6890	0.000	1	104.1622	0.440	38	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	3:4:3:	3:2:3:	C[5,5a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O)	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,5a]C[6a]H)(C[5]C[5,5a]O){1|H<1>,1|N<2>,1|S<2>,5|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(S[5a]C[5a])(C[5]N[5]O){2|C<3>,3|H<1>}	104.1910	0.000	1	104.1910	0.000	1	104.1910	0.000	1	104.1910	0.000	1	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	4:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO)	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,1|O<2>,2|C<4>}	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCO){1|C<3>,1|N<2>}	C[5,5a](C[5,5a]N[5a]C[5])(C[5a]O[5a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>}	104.4200	0.000	1	104.4200	0.000	1	104.4200	0.000	1	104.8565	0.381	2	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	4:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5a,5a]-3:C[5,5a]-3:C[5]-3:	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2)	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O)	C[5](C[5,5a]C[5a,5a]C[5,5a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](C[5a,5a]N[5a,5a]O[5a])(C[5,5a]C[5a]C[5])(C[5]N[5]O){2|H<1>,4|C<3>}	105.2930	0.000	1	105.2930	0.000	1	105.2930	0.000	1	104.8565	0.381	2	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:1:	4:3:4:	3:2:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,5a]-3:N[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH)	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,2|H<1>}	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH){1|C<3>,1|N<2>}	C[5,5a](C[5,5a]C[5a]C[5])(N[5a]N[5a])(C[5]N[5]O){1|C<4>,4|H<1>}	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|H<1>,1|O<1>,4|C<3>}	106.3840	0.000	1	107.4630	2.328	2	107.4630	2.328	2	107.4630	2.328	2	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:1:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:H-1:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(H){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|H<1>,3|C<3>}	108.5420	0.000	1	107.4630	2.328	2	107.4630	2.328	2	107.4630	2.328	2	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-3:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(COO){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,5|C<3>}	107.5270	0.000	1	107.5270	0.000	1	107.5270	0.000	1	105.8350	5.726	2	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6a]-3:	N[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH)	N[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(C[6a]C[6a]2)	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]C[6a]C[5])(CHH){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,5a]C)(C[5]N[5,5a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,5a](N[5,5a]C[5a,6a]C[5])(C[5a]C[5a,6a]H)(C[5]N[5]C){1|O<1>,3|C<3>}	104.1430	0.000	1	104.1430	0.000	1	104.1430	0.000	1	105.8350	5.726	2	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:2:3:	C[5,5a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:S[5a]-2:C[5]-3:	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C)	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]C)(CCH){1|O<1>,2|C<3>}	N[5](C[5]C[5,5a]C)(C[5]C[5,5a]O)(CC[6a]HH){1|C<3>,1|S<2>}	C[5,5a](C[5,5a]C[5a,6a]C[5])(S[5a]C[5a,6a])(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>}	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	104.8450	0.000	1	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]O[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|O<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	107.4910	0.000	1	107.4910	0.000	1	106.6056	0.490	10	107.1628	1.230	21	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	106.3750	0.000	1	106.5072	0.442	9	106.6056	0.490	10	107.1628	1.230	21	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[5a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[5a]C[5a]S[5a])(N[5]C[5]C){1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(CCHH){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[5a]N[5])(C[5a]N[5a]O){1|O<1>,1|S<2>,2|C<3>,2|C<4>}	106.5238	0.709	8	106.5072	0.442	9	106.6056	0.490	10	107.1628	1.230	21	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|F<1>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	111.0670	0.000	1	107.7596	1.487	10	107.6694	1.427	11	107.1628	1.230	21	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CCHH){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	107.3921	0.391	9	107.7596	1.487	10	107.6694	1.427	11	107.1628	1.230	21	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,5a]	3:3:3:	3:3:4:	3:3:3:	C[5,5a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	C[5,5a]-3:C[5]-3:C[5a]-3:	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH)	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O)	C[5](C[5,5a]C[5,5a]C[5a])(C[6a]C[6a]2)(N[5]C[5]C){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]O)(CC[6a]HH){4|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5]C[6a]N[5])(C[5a]N[5a]O){1|O<1>,2|C<4>,3|C<3>}	106.7670	0.000	1	106.7670	0.000	1	107.6694	1.427	11	107.1628	1.230	21	105.0853	2.462	83	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:1:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:Se[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H)	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]O)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(O){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|O<1>,2|H<1>}	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H)	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(H){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]H)(Se[5]C[5,6a])(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|H<1>}	115.3045	0.050	2	115.3045	0.003	2	115.3045	0.003	2	111.1961	3.868	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCO){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	111.1961	3.868	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	110.4270	0.000	1	110.5940	0.467	10	110.5940	0.467	10	111.1961	3.868	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	110.3380	0.000	1	110.5940	0.467	10	110.5940	0.467	10	111.1961	3.868	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<2>,2|C<3>}	110.5620	0.000	1	110.5940	0.467	10	110.5940	0.467	10	111.1961	3.868	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>}	110.3933	1.051	3	110.5940	0.467	10	110.5940	0.467	10	111.1961	3.868	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>}	110.8582	0.707	4	110.5940	0.467	10	110.5940	0.467	10	111.1961	3.868	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:S[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H)	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(H){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]H)(S[5]C[5,6a])(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]H){2|C<3>,2|C<4>}	113.2955	0.771	2	113.2955	0.595	2	113.2955	0.595	2	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC3){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	110.8530	0.000	1	110.8530	0.000	1	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.2030	0.000	1	111.2030	0.000	1	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	110.4135	0.094	2	110.5773	0.085	3	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.9050	0.000	1	110.5773	0.085	3	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>}	110.6450	0.000	1	110.6450	0.000	1	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8310	0.000	1	110.1875	0.391	8	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>}	110.1093	0.615	6	110.1875	0.391	8	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:2:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:Se[5]-2:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(Se[5]C[5,6a])(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>}	111.0130	0.000	1	110.1875	0.391	8	110.4238	0.328	14	110.7827	1.286	16	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:O[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]O[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]O[6a])(N[5]C[5]H)(O){1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){1|C<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(O[6a]C[6a])(C[5]N[5]O){1|H<1>,2|C<3>,2|O<1>}	103.5350	0.317	2	103.5350	0.100	2	103.5350	0.100	2	103.5350	0.100	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,4|H<1>}	107.5127	0.250	4	107.5127	0.062	4	107.5127	0.062	4	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|N<3>,3|C<3>}	N[5](N[5]C[5,6a]C[5a])(C[5]C[5,6a]H)(H){2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H){2|C<3>,3|H<1>}	110.6130	0.000	1	110.6130	0.000	1	107.7467	3.663	4	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H)	N[5](N[5]C[5,6a]Os)(C[5]C[5,6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]H)(H){1|Os<6>,1|H<1>,2|C<3>}	N[5](N[5]C[5,6a]Os)(C[5]C[5,6a]H)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Os<6>,1|C<3>,3|H<1>}	106.7913	0.135	3	106.7913	0.018	3	107.7467	3.663	4	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:N-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(N)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(N){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<1>,3|H<1>}	105.4640	0.000	1	105.4640	0.000	1	105.4640	0.000	1	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,4|C<3>}	105.7395	0.429	2	105.7395	0.184	2	105.7267	0.093	3	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]H)(O){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(H){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	105.7010	0.000	1	105.7010	0.000	1	105.7267	0.093	3	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]O[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.5960	0.000	1	105.5960	0.000	1	105.5960	0.000	1	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	106.7325	0.244	2	106.7325	0.060	2	106.1354	0.476	5	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	105.5015	0.568	2	105.5015	0.322	2	106.1354	0.476	5	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	106.2090	0.000	1	106.2090	0.000	1	106.1354	0.476	5	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	105.1290	0.259	2	105.1290	0.067	2	105.1290	0.067	2	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	105.7130	0.000	1	105.8494	0.173	31	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,3|H<1>}	105.8539	0.422	30	105.8494	0.173	31	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<1>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<1>,3|H<1>}	106.1870	0.000	1	106.1870	0.000	1	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|O<2>}	106.0760	0.000	1	106.0760	0.000	1	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.5440	0.000	1	105.5440	0.000	1	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	105.5815	0.726	2	105.6610	0.190	4	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7405	0.131	2	105.6610	0.190	4	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	105.2450	0.000	1	105.2450	0.000	1	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|Cl<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|H<1>,1|O<1>}	105.2570	0.008	2	105.2570	0.000	2	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|F<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|F<1>}	105.2775	0.086	2	105.2775	0.007	2	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|O<1>,2|H<1>}	105.6950	0.741	4	105.9804	0.218	18	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	105.6687	0.465	3	105.9804	0.218	18	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	106.1692	0.247	11	105.9804	0.218	18	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	104.8600	0.000	1	104.8600	0.000	1	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	106.5480	0.000	1	106.5480	0.000	1	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<3>,1|O<2>,2|O<1>}	N[5](C[5]C[5,6a]O)2(H){1|C<3>,1|O<2>}	C[5,6a](C[5,6a]O[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	106.2380	0.515	2	106.2380	0.265	2	105.8404	0.218	65	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,2|H<1>,4|C<3>}	106.0660	0.000	1	106.0660	0.000	1	106.1905	0.031	2	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:H-1:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]O)2(H)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]H)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(H){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,3|C<3>,3|H<1>}	106.3150	0.000	1	106.3150	0.000	1	106.1905	0.031	2	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(O){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,2|O<1>}	105.5965	0.060	2	105.5965	0.004	2	105.5965	0.004	2	105.9934	0.602	89	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[6a]-3:P[5]-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H)	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a])	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(H){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]H)(C[6a]C[6a]2)(P[5]C[5,6a]){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,1|H<1>,2|C<3>}	111.1790	0.000	1	111.1790	0.000	1	111.1790	0.000	1	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	105.4013	0.533	28	105.4013	0.284	28	105.3401	0.260	40	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NC[4])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NC[4]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	104.9280	0.079	2	104.9280	0.006	2	105.3401	0.260	40	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NC[6]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	105.2875	0.525	2	105.2875	0.276	2	105.3401	0.260	40	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<2>,1|O<1>,2|H<1>}	105.2425	0.486	8	105.2425	0.236	8	105.3401	0.260	40	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	103.6435	0.100	2	103.6435	0.010	2	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|Cl<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<1>,1|O<2>}	103.1525	0.187	2	103.1525	0.035	2	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	103.7884	0.541	32	103.7884	0.293	32	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(OC[5])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(OC[5]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	103.5767	0.748	6	103.5767	0.559	6	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(OC[6])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(OC[6]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	104.1340	0.614	6	104.1340	0.378	6	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|Cl<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<1>,1|O<2>}	103.9905	0.346	2	103.9905	0.120	2	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(OH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(OH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	104.3175	0.006	2	104.3175	0.000	2	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]O)2(OS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(OS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	103.5715	0.286	2	103.5715	0.082	2	103.7934	0.313	54	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]O)2(SC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(SC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	105.7938	0.818	6	105.7938	0.669	6	105.3037	0.835	49	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]O)2(SC[6a])	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(SC[6a]){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	105.6757	0.233	4	105.6757	0.055	4	105.3037	0.835	49	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]O)2(SS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(SS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	105.1902	0.947	39	105.1902	0.896	39	105.3037	0.835	49	104.7883	1.303	144	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	104.9440	0.000	1	104.9440	0.000	1	104.9440	0.000	1	104.9440	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	N[5](C[5]N[5,6a]Ir)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,4|C<3>}	N[5](C[5]N[5,6a]Ir)(C[5]C[5,6a]H)(C[6a]C[6a]2){1|H<1>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Ir<6>,2|C<3>,2|H<1>}	106.4790	0.189	4	106.4790	0.036	4	106.8882	0.425	6	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	N[5](C[5]N[5,6a]Pd)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Pd<4>,1|H<1>,4|C<3>}	N[5](C[5]N[5,6a]Pd)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<3>}	107.6340	0.000	1	107.6340	0.000	1	106.8882	0.425	6	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C[6a]-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H)	N[5](C[5]N[5,6a]Pd)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[6a]C[5])(H){1|Pd<4>,1|H<1>,4|C<3>}	N[5](C[5]N[5,6a]Pd)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	107.7790	0.000	1	107.7790	0.000	1	106.8882	0.425	6	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	N[5](N[5]C[5,6a]Fe)(C[5]C[5,6a]H)(C[6]C[6]N[6])	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|Fe<6>,1|H<1>,1|N<3>,3|C<3>}	N[5](N[5]C[5,6a]Fe)(C[5]C[5,6a]H)(C[6]C[6]N[6]){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Fe<6>,2|C<3>,2|H<1>}	106.4870	0.108	4	106.4870	0.012	4	106.4870	0.012	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6,6a]C[5a,6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[5a,6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<3>,5|C<3>}	105.7210	0.000	1	105.7210	0.000	1	105.5745	0.103	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	105.6715	0.312	6	105.5582	0.113	9	105.5745	0.103	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-3:C[5]-3:C[6a]-3:	C[5,6,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6,6a]C[6a,6a])(N[5]C[5,6]C[6a])(O){6|C<3>}	N[5](C[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	105.3317	0.306	3	105.5582	0.113	9	105.5745	0.103	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	104.8820	0.000	1	105.3700	0.249	4	105.3700	0.249	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|I<1>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	106.0640	0.000	1	105.3700	0.249	4	105.3700	0.249	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5,6a,6a]-3:C[6a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a,6a])(N[5]C[5,6a]C[6a])(O){6|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){3|H<1>,5|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(C[5]N[5]O){1|H<1>,1|N<2>,5|C<3>}	105.2670	0.076	2	105.3700	0.249	4	105.3700	0.249	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	105.1050	0.000	1	105.7441	0.199	10	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.8151	0.409	9	105.7441	0.199	10	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.5655	0.431	2	105.5655	0.185	2	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.8310	0.466	4	105.8310	0.217	4	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[5]Si){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.8635	0.285	2	105.8635	0.081	2	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6]H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	106.0480	0.061	2	106.0480	0.004	2	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6]Si){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	106.0315	0.335	4	106.0315	0.112	4	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]C){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7763	0.791	6	105.7763	0.626	6	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]N){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7125	0.059	2	105.7125	0.003	2	105.8102	0.216	32	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6]C[5])(C[5]C[5,6a]O)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.5597	0.643	4	105.5597	0.413	4	105.5597	0.413	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[5a]C[5a]2){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.5245	0.087	2	105.5245	0.008	2	105.5245	0.008	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.4751	0.550	8	105.4751	0.302	8	105.3803	0.477	12	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.1905	0.985	4	105.1905	0.971	4	105.3803	0.477	12	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]2)(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	105.8820	0.000	1	105.8820	0.000	1	105.8820	0.000	1	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	105.5220	0.000	1	105.6303	0.012	4	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	105.6663	0.102	3	105.6303	0.012	4	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	106.4700	0.788	2	106.4700	0.620	2	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|S<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<1>,2|C<3>,2|H<1>}	105.2930	0.000	1	105.2930	0.000	1	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.0990	0.000	1	106.0990	0.000	1	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	106.6500	0.000	1	106.6500	0.000	1	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<1>,3|C<3>}	105.2080	0.000	1	105.2080	0.000	1	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]O){1|O<1>,5|C<3>}	105.5457	0.208	3	105.5457	0.043	3	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]O){1|O<1>,3|C<3>}	105.5250	0.000	1	105.5250	0.000	1	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	105.6440	0.134	2	105.6440	0.018	2	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	105.8135	0.149	2	105.8292	0.088	10	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|N<3>,1|O<1>,3|C<3>}	105.9375	0.590	2	105.8292	0.088	10	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	105.7590	0.347	4	105.8292	0.088	10	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	105.8770	0.116	2	105.8292	0.088	10	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]N[6])(C[5]N[5]O){1|H<1>,1|O<1>,5|C<3>}	105.8830	0.919	2	105.8830	0.845	2	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.8945	0.112	4	105.8945	0.012	4	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	105.6825	0.364	2	105.6825	0.133	2	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,4|C<3>}	105.7070	0.199	3	105.9157	0.281	7	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	107.0840	0.000	1	105.9157	0.281	7	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	105.7350	0.079	3	105.9157	0.281	7	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	104.6453	0.189	6	105.0428	0.199	18	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	104.8795	0.381	2	105.0428	0.199	18	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	105.7243	0.261	3	105.0428	0.199	18	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	105.3055	0.155	2	105.0428	0.199	18	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	105.0710	0.302	5	105.0428	0.199	18	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|F<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|O<1>,2|C<3>,2|F<1>}	105.3815	0.296	2	105.4262	0.032	4	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|F<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|O<1>,2|C<3>,2|F<1>}	105.4710	0.037	2	105.4262	0.032	4	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|Br<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7995	0.139	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	106.0670	0.000	1	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	105.7080	0.000	1	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.6322	0.359	10	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	105.5000	0.000	1	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|F<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.3115	0.383	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	105.6530	0.000	1	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|I<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.8020	0.257	3	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.6505	0.203	6	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	105.7660	0.625	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7209	0.403	16	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.5500	0.095	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	106.0470	0.000	1	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	105.4540	0.000	1	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7471	0.335	11	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	105.7625	0.132	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	106.1055	0.235	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	106.6135	0.734	4	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	105.6560	0.187	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.2890	0.000	1	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>}	105.2470	0.936	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	105.5816	0.200	14	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	105.4335	0.426	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7193	0.466	49	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.6300	0.246	2	105.7176	0.180	140	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.9950	0.000	1	105.8090	0.016	4	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.7470	0.022	3	105.8090	0.016	4	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]N[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|N<2>}	N[5](C[5]C[5,6a]O)2(C[6a]N[6a]2){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.4728	0.436	6	105.4728	0.190	6	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]Se)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Se<1>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]Se)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Se<1>,2|C<3>,2|H<1>}	103.1340	0.000	1	103.1340	0.000	1	105.6576	0.244	214	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a,6a]C[5a,6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|O<1>,6|C<3>}	105.7835	0.347	2	105.7835	0.121	2	105.8635	0.106	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|N<2>}	105.6510	0.000	1	105.6510	0.000	1	105.8635	0.106	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	106.2360	0.000	1	106.2360	0.000	1	105.8635	0.106	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	105.2130	0.000	1	105.6585	0.240	4	105.5277	0.212	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){6|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){2|H<1>,5|C<3>}	105.8070	0.477	3	105.6585	0.240	4	105.5277	0.212	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|N<2>,5|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,2|N<2>,4|C<3>}	105.3200	0.000	1	105.3200	0.000	1	105.5277	0.212	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|S<1>,5|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|S<1>,4|C<3>}	104.7060	0.000	1	104.7060	0.000	1	105.5277	0.212	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	105.5623	0.340	3	105.6543	0.111	4	105.5277	0.212	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|O<1>,5|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	105.9300	0.000	1	105.6543	0.111	4	105.5277	0.212	10	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NHH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]N)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NHH){2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	104.8085	0.319	2	104.8085	0.102	2	104.8085	0.102	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NCC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	104.0964	0.196	7	104.0964	0.038	7	104.7305	0.316	40	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	104.6861	0.383	17	104.6861	0.147	17	104.7305	0.316	40	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	104.8350	0.000	1	104.7499	0.123	8	104.7305	0.316	40	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	104.7377	0.377	7	104.7499	0.123	8	104.7305	0.316	40	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]O)2(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(NC[6a]H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	105.3601	0.638	8	105.3601	0.407	8	104.7305	0.316	40	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](C[5]C[5,6a]O)2(N[3]C[3]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(N[3]C[3]2){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	105.0180	0.611	2	104.8852	0.264	4	104.8852	0.264	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](C[5]C[5,6a]O)2(N[3]C[3]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(N[3]C[3]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	104.7525	0.590	2	104.8852	0.264	4	104.8852	0.264	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	104.8018	0.368	6	104.8018	0.136	6	104.6277	0.207	8	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O)	N[5](C[5]C[5,6a]O)2(N[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(N[5a]C[5a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	104.1055	0.210	2	104.1055	0.044	2	104.6277	0.207	8	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O)	N[5](C[5]C[5,6a]O)2(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	105.3740	0.231	2	104.8275	0.418	4	104.8275	0.418	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[6]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O)	N[5](C[5]C[5,6a]O)2(N[6]C[6]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[6])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(N[6]C[6]2){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	104.2810	0.079	2	104.8275	0.418	4	104.8275	0.418	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:S[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	107.6860	0.013	2	107.6860	0.000	2	107.6860	0.000	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]O)2{4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.9109	0.783	8	105.9109	0.613	8	105.9109	0.613	8	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.6140	0.246	2	105.6140	0.061	2	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	105.7680	0.139	2	105.7680	0.019	2	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|C<3>,2|H<1>}	105.7115	0.105	2	105.7115	0.011	2	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|Cl<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|O<1>,2|C<3>}	105.0350	0.153	2	105.0350	0.023	2	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	105.4740	0.000	1	105.7508	0.610	10	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.6657	0.386	3	105.7508	0.610	10	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)2{1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.8395	1.004	6	105.7508	0.610	10	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.4430	0.000	1	105.5763	0.085	6	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	105.6030	0.318	5	105.5763	0.085	6	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<3>,2|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]O)2{1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	105.0950	0.000	1	105.0950	0.000	1	105.6127	0.301	25	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	N[3]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](N[3]C[3,3]C[3])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](N[3]C[3,3]C[3])(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	104.8600	0.086	2	104.8600	0.007	2	104.8600	0.007	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	N[6,6]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[6,6]C[5])(O)	N[5](N[6,6]C[6,6]2)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[6,6]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](N[6,6]C[6,6]2)(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,2|O<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	103.9065	0.190	4	103.9065	0.036	4	103.9065	0.036	4	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	Se[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	109.9490	0.000	1	111.9120	7.707	2	111.9120	7.707	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	Se[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O)	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Se[5])(O){1|H<1>,5|C<3>}	N[5](Se[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,3|C<3>}	113.8750	0.000	1	111.9120	7.707	2	111.9120	7.707	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]S){1|O<1>,5|C<3>}	104.9760	0.000	1	104.9760	0.000	1	105.0490	0.011	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:S-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S)	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(S){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)(C[5]C[5,6a]S)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|O<1>,2|C<3>,2|H<1>}	105.1220	0.000	1	105.1220	0.000	1	105.0490	0.011	2	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:Se-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Se)	N[5](C[5]C[5,6a]Se)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(Se){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]Se)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|O<1>,2|C<3>,2|H<1>}	105.2950	0.000	1	105.2950	0.000	1	105.2950	0.000	1	105.5672	0.661	407	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	105.1780	0.000	1	105.1780	0.000	1	105.1590	0.198	11	105.3327	0.346	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	105.1540	0.000	1	105.1540	0.000	1	105.1590	0.198	11	105.3327	0.346	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	104.9960	0.000	1	104.9960	0.000	1	105.1590	0.198	11	105.3327	0.346	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5150	0.000	1	105.5150	0.000	1	105.1590	0.198	11	105.3327	0.346	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|O<1>}	N[5](C[5]C[5,6a]O)2(CCHH){2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	105.0802	0.586	6	105.0802	0.344	6	105.1590	0.198	11	105.3327	0.346	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(O){1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.4250	0.000	1	105.4250	0.000	1	105.1590	0.198	11	105.3327	0.346	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:S[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]S[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,1|S<2>}	N[5](C[5]C[5,6a]O)2(CCHH){2|S<2>}	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	106.2880	0.113	2	106.2880	0.013	2	106.2880	0.013	2	105.3327	0.346	13	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]H)(CH3){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	106.9158	0.255	5	106.9158	0.065	5	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,1|S<1>,2|C<3>}	N[5](C[5]C[5,6a]H)(C[5]N[5,6a]S)(CC[6a]HH){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|S<1>,2|H<1>}	107.7700	0.217	3	107.7700	0.047	3	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]N[5,6a]C[6])(C[5]C[5,6a]H)(CH3){1|N<3>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	107.1740	0.017	2	107.1740	0.000	2	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|H<1>,3|C<3>}	N[5](C[5]N[5,6a]C[6a])(C[5]C[5,6a]H)(CH3){1|N<2>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|C<3>,2|H<1>}	107.4873	0.272	14	107.4873	0.074	14	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC3){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	107.5070	0.100	2	107.5070	0.010	2	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CCHH){2|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	105.0635	3.675	2	105.0635	13.504	2	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC[6a]HH)	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CC[6a]HH){2|C<3>}	C[5,6a](N[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	106.6590	0.000	1	106.6590	0.000	1	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(H){1|Rh<6>,1|C<4>,2|C<3>}	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]H)(CH3){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]H){1|Rh<6>,1|C<3>,1|H<1>,2|C<4>}	106.8335	0.063	2	106.8335	0.004	2	107.1783	0.908	31	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:B-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]B)(H){2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]H)(BC[6a]3){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	109.5610	0.000	1	109.5610	0.000	1	109.5610	0.000	1	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.2100	0.000	1	107.2100	0.000	1	107.2100	0.000	1	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	107.4890	1.930	2	107.5785	0.764	6	107.5785	0.764	6	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.6232	0.151	4	107.5785	0.764	6	107.5785	0.764	6	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H)	N[5](N[5]C[5,6a]Pd)(C[5]C[5,6a]H)(CN[5]HH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(H){1|Pd<4>,1|H<1>,2|C<3>}	N[5](N[5]C[5,6a]Pd)(C[5]C[5,6a]H)(CN[5]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	107.0550	0.538	4	107.0550	0.290	4	107.0550	0.290	4	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	105.2117	0.331	3	105.2117	0.109	3	105.5165	0.090	10	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	105.6260	0.000	1	105.6260	0.000	1	105.5165	0.090	10	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){4|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]C)(C[5]N[5]O){1|C<4>,4|C<3>}	105.3050	0.000	1	105.3050	0.000	1	105.5165	0.090	10	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,4|C<3>}	105.7293	0.142	3	105.7293	0.020	3	105.5165	0.090	10	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	105.7570	0.000	1	105.7055	0.005	2	105.5165	0.090	10	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6a]-3:C[5]-3:C-4:	C[5,6a,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a,6a]C[6a])(N[5]C[5,6a]C)(O){1|H<1>,3|C<3>}	N[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(CH3){1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<2>,3|C<3>}	105.6540	0.000	1	105.7055	0.005	2	105.5165	0.090	10	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])2(C[5]N[5]O){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	105.2912	0.308	61	105.2912	0.095	61	105.2912	0.095	61	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	105.8983	0.362	8	105.8983	0.131	8	105.8983	0.131	8	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	105.5150	0.000	1	105.5150	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	106.1330	0.249	4	106.1330	0.062	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	105.9470	0.220	10	105.9470	0.048	10	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	105.7540	0.274	3	105.7540	0.075	3	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	104.6910	0.000	1	104.6910	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|N<2>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	105.6720	0.219	2	105.6720	0.048	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.8295	0.467	2	105.8295	0.218	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCF)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCCF){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.0810	0.297	2	106.0810	0.088	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	106.0945	0.392	2	106.0945	0.154	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.6980	0.000	1	105.8633	0.329	103	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.8551	0.570	102	105.8633	0.329	103	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5720	0.000	1	105.5720	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|S<2>}	105.6857	0.444	4	105.7573	0.096	16	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.7812	0.273	12	105.7573	0.096	16	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.0970	0.000	1	106.0970	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	105.4500	0.000	1	105.4500	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	105.6072	0.300	4	105.6082	0.056	6	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a]N[6a])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|C<3>}	105.6100	0.092	2	105.6082	0.056	6	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.9090	0.286	4	105.9090	0.082	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>}	105.5790	0.000	1	105.3798	0.137	6	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	105.3400	0.399	5	105.3798	0.137	6	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.1360	0.435	3	105.9081	0.225	370	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.3620	0.000	1	105.9081	0.225	370	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	106.0455	0.336	2	105.9081	0.225	370	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9108	0.469	351	105.9081	0.225	370	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.9539	0.597	11	105.9081	0.225	370	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	105.9810	0.058	2	105.9081	0.225	370	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5]C[5,6a]O)2(CCHH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.9460	0.000	1	105.9460	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.7023	0.428	6	105.7023	0.183	6	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[3x6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[3x6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.0150	0.231	2	106.0798	0.030	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[3x6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[3x6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.1445	0.144	2	106.0798	0.030	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[5]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.4975	0.449	2	105.4975	0.202	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[5]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5518	0.890	12	105.5518	0.792	12	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[5a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.6655	0.356	8	105.6655	0.126	8	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.2700	0.000	1	106.1103	0.373	20	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1695	0.628	17	106.1103	0.373	20	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.5275	0.117	2	106.1103	0.373	20	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.1877	0.508	6	106.0486	0.153	23	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9995	0.345	17	106.0486	0.153	23	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.9154	0.491	5	106.9154	0.241	5	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]CS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]CS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9065	1.292	2	105.9065	1.669	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<2>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	105.5118	0.087	4	105.5118	0.007	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.1110	0.054	4	106.1110	0.003	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.2690	0.000	1	105.8327	0.072	67	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	105.5077	0.327	3	105.8327	0.072	67	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.8519	0.252	61	105.8327	0.072	67	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.5960	0.000	1	105.8327	0.072	67	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|N<3>,2|O<1>}	105.4360	0.000	1	105.8327	0.072	67	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|N<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.4120	0.000	1	106.4120	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5]C[5,6a]O)2(CC[6a]HH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.8160	0.000	1	105.8160	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CC[6a]HN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CC[6a]HN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.1877	0.450	4	105.1877	0.202	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CClCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CClCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.4190	0.004	2	105.4190	0.000	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	105.8750	0.000	1	105.8750	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	105.0620	0.000	1	105.0620	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<1>}	105.6480	0.000	1	105.9181	0.245	18	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	105.8683	0.008	3	105.9181	0.245	18	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	105.7327	0.364	3	105.9181	0.245	18	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1209	0.680	8	105.9181	0.245	18	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	105.7340	0.096	2	105.9181	0.245	18	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	105.6390	0.000	1	105.9181	0.245	18	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	106.2170	0.000	1	106.2170	0.000	1	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CHHN){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.3925	0.343	2	106.3925	0.118	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CHHO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.0355	0.074	2	106.0355	0.006	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHP)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CHHP){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.7152	0.124	4	105.7152	0.015	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CHHS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CHHS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.1885	0.057	2	105.1885	0.003	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[5]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CN[5]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.8342	0.374	10	105.8342	0.140	10	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[5a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CN[5a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5408	0.241	8	105.5408	0.058	8	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CN[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.3720	0.164	4	105.3720	0.027	4	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CN[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CN[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5245	0.576	2	105.5245	0.332	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CSiHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CSiHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.0800	0.006	2	106.0800	0.000	2	105.8746	0.236	758	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]O[5a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,4|C<3>}	105.5670	0.000	1	105.5670	0.000	1	105.5670	0.000	1	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	106.2495	0.152	2	106.2495	0.023	2	106.2984	0.367	9	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH)	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C[5,6a](C[6a,6a]C[3x6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	105.6515	0.746	2	105.6515	0.557	2	106.2984	0.367	9	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a]C[6a,6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	106.8660	0.171	3	106.8660	0.029	3	106.2984	0.367	9	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5a,6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	106.6130	0.000	1	106.6130	0.000	1	106.2984	0.367	9	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CH3){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	105.6730	0.000	1	105.6730	0.000	1	106.2984	0.367	9	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCCH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CCCH){2|C<3>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	105.8623	0.063	4	105.8623	0.004	4	105.9911	0.133	14	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	106.1575	0.289	6	106.1575	0.084	6	105.9911	0.133	14	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[6a]C[5a,6a]C[5a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<2>,1|O<1>,1|S<2>,3|C<3>}	105.8702	0.579	4	105.8702	0.335	4	105.9911	0.133	14	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(C[5]N[5,6a]O)(CH3){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|O<1>}	105.0150	0.000	1	105.0150	0.000	1	105.0150	0.000	1	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[3]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2C){2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.6342	0.379	4	105.6342	0.143	4	105.6753	0.090	6	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[3]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[3]C[3]2H){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.7575	0.030	2	105.7575	0.001	2	105.6753	0.090	6	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[4]C[4]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[4]C[4]2H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1095	0.246	4	106.1095	0.061	4	106.1095	0.061	4	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.3990	0.000	1	105.7160	0.201	2	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2C){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	106.0330	0.000	1	105.7160	0.201	2	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.6670	0.432	9	105.7506	0.169	21	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.6760	0.074	2	105.7506	0.169	21	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.2480	0.461	2	105.7506	0.169	21	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.0080	0.474	2	105.7506	0.169	21	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1110	0.092	2	105.7506	0.169	21	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.6725	0.098	2	105.7506	0.169	21	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[5]C[5]2H){1|O<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1645	0.322	2	105.7506	0.169	21	105.7476	0.163	23	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	106.3790	0.000	1	106.3790	0.000	1	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1326	0.593	10	106.1326	0.351	10	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5657	0.424	8	105.5657	0.180	8	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.1463	0.438	11	106.1463	0.192	11	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	105.4740	0.786	2	105.4740	0.618	2	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.0050	0.219	3	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9263	0.653	20	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.5605	0.453	4	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.8877	0.474	4	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9060	0.236	2	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1958	0.777	4	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.7465	0.292	4	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.2385	0.508	2	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9559	0.533	10	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	106.0932	0.182	4	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.0787	0.241	4	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.9320	0.000	1	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	106.0424	0.139	5	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	106.4250	0.000	1	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.3559	0.325	7	105.9960	0.244	75	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.7318	0.164	4	105.7318	0.027	4	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[5])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	107.3680	0.173	2	107.3680	0.030	2	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N[6])(C[5]N[5]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	106.3170	0.000	1	106.3170	0.000	1	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	106.4910	0.369	2	106.4710	0.069	3	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.4310	0.000	1	106.4710	0.069	3	106.0161	0.281	117	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O)	N[5](C[5]C[5,6a]O)2(POOS)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(POOS){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|P<4>,2|H<1>}	106.1153	0.106	4	106.1153	0.011	4	106.1153	0.011	4	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]O)2(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	105.2630	0.253	2	105.2630	0.064	2	105.2630	0.064	2	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:Si-4:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O)	N[5](C[5]C[5,6a]O)2(SiC3)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(SiC3){2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|Si<4>,1|N<3>,1|O<1>,4|C<3>}	105.4800	0.000	1	105.4800	0.000	1	105.4800	0.000	1	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:Si-4:	C[5,6a]-3:C[6,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]Si)(O)	N[5](C[5]C[5,6a]O)2(SiC3)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]Si)(O){1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]O)2(SiC3){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6,6a]C[6,6a]C[6])(C[5]N[5]O){1|Si<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	Se[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O)	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3)	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](Se[5]C[5,6a]O)(C[5]C[5,6a]O)(CC3){2|C<3>}	C[5,6a](C[5,6a]C[6a]Se[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	105.9175	0.384	1064	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,2|C<3>,2|N<2>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	104.9377	0.293	3	104.9377	0.086	3	104.9377	0.086	3	104.9377	0.086	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	C[6a]-3:B[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H)	N[5](C[6a]C[6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	114.0095	0.668	2	114.0095	0.447	2	114.0095	0.447	2	109.0466	13.649	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	N[5a]-3:B[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H)	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H){1|H<1>,6|C<3>}	N[5](N[5a]C[5a,6a]C[5a])(B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	111.6520	0.188	2	111.6520	0.035	2	111.6520	0.035	2	109.0466	13.649	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	N[5](C[5a]N[5a]S[5a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	106.0830	0.000	1	106.0830	0.000	1	106.0830	0.000	1	109.0466	13.649	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]CH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	105.9770	0.000	1	105.9770	0.000	1	106.0032	0.015	4	109.0466	13.649	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	105.8440	0.000	1	105.8440	0.000	1	106.0032	0.015	4	109.0466	13.649	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){2|C<3>,4|H<1>}	106.0700	0.000	1	106.0700	0.000	1	106.0032	0.015	4	109.0466	13.649	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HO)(C[5]C[5,6a]O){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	106.1220	0.000	1	106.1220	0.000	1	106.0032	0.015	4	109.0466	13.649	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	106.5840	0.000	1	106.0920	0.231	3	106.2284	0.099	7	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|H<1>,4|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(H){1|I<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	105.8460	0.315	2	106.0920	0.231	3	106.2284	0.099	7	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){2|O<2>,3|C<3>}	N[5](C[5,5]C[5,6a]2O[5])(C[5]C[5,6a]O)(H){5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	106.2895	0.088	2	106.2895	0.008	2	106.2284	0.099	7	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.4640	0.000	1	106.4640	0.000	1	106.2284	0.099	7	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(H){2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.2800	0.000	1	106.2800	0.000	1	106.2284	0.099	7	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]H)(O)	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6])(C[5]C[5,6a]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.5260	0.443	2	106.5260	0.196	2	106.5260	0.196	2	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,3|H<1>,4|C<3>}	106.1820	0.506	4	106.1820	0.256	4	106.2866	0.247	5	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[5a,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[5a,6a]C[5a,6a]2)(C[5]N[5]O){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	106.7050	0.000	1	106.7050	0.000	1	106.2866	0.247	5	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	105.8700	0.089	2	105.8700	0.008	2	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	106.3345	0.064	2	106.3513	0.062	8	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	106.2608	0.325	4	106.3513	0.062	8	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	106.5490	0.069	2	106.3513	0.062	8	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	107.0700	0.000	1	107.0700	0.000	1	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<2>,1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	106.6200	0.000	1	106.5400	0.013	2	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.4600	0.000	1	106.5400	0.013	2	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	107.1415	0.375	2	107.1415	0.141	2	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[6a]N[5a])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<3>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]N[5a])(C[5]C[5,6a]O)(H){6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	107.0200	0.000	1	107.0200	0.000	1	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	106.2170	0.000	1	106.2170	0.000	1	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	106.4947	0.569	6	106.4947	0.324	6	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,2|H<1>}	105.8620	0.000	1	105.8620	0.000	1	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<2>,3|H<1>}	106.2405	0.177	2	106.2405	0.032	2	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,4|H<1>}	106.2960	0.000	1	106.4090	0.026	2	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	106.5220	0.000	1	106.4090	0.026	2	106.4410	0.193	28	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	P[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O)	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O){1|H<1>,1|O<1>,3|C<3>}	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,3|H<1>}	107.9380	0.000	1	107.9380	0.000	1	108.8137	0.677	3	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	P[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O)	N[5](P[5]C[5,6a]OO)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	N[5](P[5]C[5,6a]OO)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	109.2515	0.450	2	109.2515	0.203	2	108.8137	0.677	3	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:Br-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Br)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(Br)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]Br)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(Br){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<3>,2|H<1>,2|O<1>}	108.0193	0.247	3	108.0193	0.061	3	108.0193	0.061	3	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|O<1>,3|H<1>}	109.3482	0.972	25	109.3482	0.945	25	109.3482	0.945	25	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:I-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]I)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(I)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]I)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(I){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|I<1>,2|H<1>,2|O<1>}	109.6596	0.871	9	109.6596	0.759	9	109.6596	0.759	9	107.7997	2.656	82	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]O)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(OC)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]O)(H){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(OC){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|O<2>,2|H<1>,3|C<3>}	110.2490	0.000	1	110.2490	0.000	1	110.2490	0.000	1	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NC){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	105.5442	0.709	27	105.5442	0.502	27	105.5448	0.484	28	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	N[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]O)(NC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]C[6,6])(C[5]C[5,6a]O)(NC){1|C<2>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,2|H<1>,3|C<3>}	105.5600	0.000	1	105.5600	0.000	1	105.5448	0.484	28	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6]O)(O)	N[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6,6a]C[6a])(N[5]C[5,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,6]C[5,6,6a]C[6a]C[6])(C[5]C[5,6a]O)(OC){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	104.8280	0.000	1	104.8280	0.000	1	104.8280	0.000	1	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]O)(O)	N[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]O)(OC){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	105.0130	0.000	1	105.0130	0.000	1	105.0130	0.000	1	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	103.8627	0.295	3	103.8627	0.087	3	104.1354	0.566	7	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5]C[5,6a]CN)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	104.4120	0.000	1	104.4120	0.000	1	104.1354	0.566	7	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	104.2360	1.669	2	104.3160	1.412	3	104.1354	0.566	7	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	104.4760	0.000	1	104.3160	1.412	3	104.1354	0.566	7	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:S-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(SC[6a])	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]S)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(SC[6a]){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|S<2>,2|H<1>,2|O<1>}	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	105.4351	1.509	39	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a])(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	105.5630	0.010	2	105.5630	0.000	2	105.5630	0.000	2	105.5630	0.000	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|H<1>,6|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|H<1>,4|C<3>}	113.8048	0.427	9	113.8048	0.183	9	113.7592	0.162	11	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H)	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){1|Cl<1>,1|H<1>,5|C<3>}	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,2|H<1>,3|C<3>}	113.3820	0.000	1	113.3820	0.000	1	113.7592	0.162	11	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H)	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]H)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]B[5])(H){2|Cl<1>,1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]Cl2)(C[5]C[5,6a]H)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){2|Cl<1>,2|C<3>,2|H<1>}	113.7260	0.000	1	113.7260	0.000	1	113.7592	0.162	11	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:N[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H)	N[5](B[5]C[5,6a]C[6a]2)(N[5a]C[5a,6a]2)(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]B[5])(H){1|H<1>,6|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(N[5a]C[5a,6a]2)(C[5]C[5,6a]H){10|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|N<3>,2|H<1>,3|C<3>}	112.5280	0.000	1	112.5280	0.000	1	112.5280	0.000	1	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	B[3x6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O)	N[5](B[3x6]N[5a,6,6]3)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O){1|Cl<1>,1|O<1>,2|C<3>,3|N<3>}	N[5](B[3x6]N[5a,6,6]3)(C[5]C[5,6a]O)2{8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|B<4>,1|C<3>,1|O<1>}	107.1935	0.448	2	107.1935	0.200	2	107.3353	0.128	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	B[3x6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O)	N[5](B[3x6]N[5a,6,6]3)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[3x6]C[5])(O){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	N[5](B[3x6]N[5a,6,6]3)(C[5]C[5,6a]O)2{8|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<4>,1|C<3>,1|O<1>,2|H<1>}	107.4770	0.322	2	107.4770	0.104	2	107.3353	0.128	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[4]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	N[5](C[4]C[4,6]C[4]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[4]C[4,6]C[4]H)(C[5]C[5,6a]O)2{1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9962	0.570	6	105.9962	0.325	6	105.9962	0.325	6	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[5](C[5,5]C[5,6a]2N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|S<4>,3|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	106.7550	0.000	1	106.7550	0.000	1	106.3274	0.216	5	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Br<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	106.7580	0.000	1	106.2205	0.211	4	106.3274	0.216	5	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Br<1>,3|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.0413	0.353	3	106.2205	0.211	4	106.3274	0.216	5	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]N)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]N)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	105.0300	0.000	1	105.0300	0.000	1	105.0300	0.000	1	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	106.1130	0.516	2	106.1130	0.266	2	106.1130	0.266	2	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5])(O)	N[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5])(O){1|F<1>,1|O<1>,2|C<4>,3|C<3>}	N[5](C[5,6]C[5,5,6]C[5,6]C)(C[5]C[5,6a]O)2{2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]F)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|F<1>}	105.9420	0.161	2	105.9420	0.026	2	105.9420	0.026	2	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	106.2430	0.000	1	106.2545	0.053	4	106.2545	0.053	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	106.0720	0.000	1	106.2545	0.053	4	106.2545	0.053	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	106.3515	0.325	2	106.2545	0.053	4	106.2545	0.053	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCC)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCC){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	104.9240	0.000	1	104.9240	0.000	1	105.5393	0.417	7	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	105.2993	0.739	3	105.2993	0.546	3	105.5393	0.417	7	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NHH){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	105.9843	0.361	3	105.9843	0.130	3	105.5393	0.417	7	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){1|N<2>,7|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	105.9770	0.000	1	106.0938	0.025	4	106.0938	0.025	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[5a])(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5a]N[5a]S[5a])(C[5]C[5,6a]O){8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	106.1327	0.170	3	106.0938	0.025	4	106.0938	0.025	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,6|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	105.9790	0.000	1	105.9790	0.000	1	106.0288	0.069	6	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C[6a])(O){1|H<1>,1|N<2>,5|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[5]C[5,6a]O){1|H<1>,8|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	106.0388	0.293	5	106.0388	0.086	5	106.0288	0.069	6	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	105.9240	0.000	1	105.9240	0.000	1	105.8729	0.108	8	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(COO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	105.3090	0.000	1	105.3090	0.000	1	105.8729	0.108	8	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]C[6,6]C)(C[5]C[5,6a]O)(CHO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	105.9557	0.373	3	105.9557	0.139	3	105.8729	0.108	8	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CNO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	105.9610	0.239	3	105.9610	0.057	3	105.8729	0.108	8	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-3:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]N[5,6a]CO)(C[5]C[5,6a]O)(CCH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]N[5,6a]CO)(C[5]C[5,6a]O)(CCH){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[5a,6a]H)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	105.7720	0.000	1	105.7720	0.000	1	105.7720	0.000	1	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]N[5,5]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]N[5,5]C[5]H)(C[5]C[5,6a]O)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.7390	0.066	2	105.7390	0.004	2	105.8355	0.014	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O)	N[5](C[5]N[5,6]C[5]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[5](C[5]N[5,6]C[5]H)(C[5]C[5,6a]O)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.9320	0.027	2	105.9320	0.001	2	105.8355	0.014	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<2>,1|F<1>,1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CF)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,1|F<1>,2|C<3>,2|H<1>}	106.0980	0.000	1	106.0980	0.000	1	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<2>,2|C<3>,3|H<1>}	106.1310	0.000	1	106.1186	0.131	9	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.3740	0.000	1	106.1186	0.131	9	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|F<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	105.5620	0.000	1	106.1186	0.131	9	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	106.2770	0.000	1	106.1186	0.131	9	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.1446	0.401	5	106.1186	0.131	9	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	106.9120	0.000	1	106.7750	0.038	2	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	106.6380	0.000	1	106.7750	0.038	2	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	106.1088	0.293	4	106.1088	0.086	4	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	106.3520	0.000	1	106.3520	0.000	1	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	106.6755	0.033	2	106.6713	0.001	3	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|H<1>,3|C<3>}	106.6630	0.000	1	106.6713	0.001	3	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.1570	0.000	1	106.1570	0.000	1	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	105.6640	0.119	2	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	105.6860	0.000	1	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|Cl<1>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	105.5100	0.000	1	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	105.9825	0.614	6	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	105.7836	0.260	10	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	105.8980	0.000	1	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,3|H<1>}	106.2605	1.043	2	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,4|H<1>}	106.5773	0.096	3	105.9387	0.228	26	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|O<2>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,2|C<3>,3|H<1>}	106.7440	0.013	2	106.7440	0.000	2	106.1136	0.219	49	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){2|H<1>,5|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Cl<1>,1|N<2>,2|H<1>,4|C<3>}	106.1780	0.000	1	106.1780	0.000	1	105.7340	0.394	2	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	105.2900	0.000	1	105.2900	0.000	1	105.7340	0.394	2	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	105.5520	0.000	1	105.5520	0.000	1	105.3413	0.142	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	105.2710	0.428	3	105.2710	0.184	3	105.3413	0.142	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(O){1|N<3>,2|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5a]C[5a]N[5a])(C[5]C[5,6a]O){1|H<1>,1|N<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|H<1>,4|C<3>}	105.0480	0.000	1	105.0480	0.000	1	105.0480	0.000	1	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6,6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[5])(O)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.1145	0.503	4	106.1145	0.253	4	106.1145	0.253	4	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	105.8268	0.245	5	105.8479	0.048	10	105.8479	0.048	10	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.8690	0.214	5	105.8479	0.048	10	105.8479	0.048	10	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	P[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(O)	N[5](P[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]P[5])(O){1|Pd<4>,1|H<1>,5|C<3>}	N[5](P[5]C[5,6a]C[6a]Pd)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,1|P<4>,6|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]O){1|Pd<4>,2|H<1>,3|C<3>}	107.7710	0.000	1	107.7710	0.000	1	107.7710	0.000	1	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCO){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	108.3650	0.000	1	108.3650	0.000	1	108.7017	0.331	7	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]N)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]N){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	108.3030	0.000	1	108.3030	0.000	1	108.7017	0.331	7	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]O){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	108.2375	0.064	2	108.2375	0.004	2	108.7017	0.331	7	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CNO){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	109.2563	0.420	3	109.2563	0.177	3	108.7017	0.331	7	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O){1|H<1>,2|O<1>,4|C<3>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	109.5110	0.000	1	109.5110	0.000	1	109.5110	0.000	1	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	110.1495	0.141	2	110.1495	0.020	2	110.1495	0.020	2	106.8659	5.022	147	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:2:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[6a]C[6a,6a])(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	N[5](B[5]C[5,6a]C[6]2)(C[5]C[5,6a]H)(CC3){2|C<3>,2|H<1>,4|C<4>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,2|H<1>,3|C<4>}	115.3720	0.000	1	115.3720	0.000	1	113.7049	0.538	10	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCCH){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	113.5310	0.000	1	113.5310	0.000	1	113.7049	0.538	10	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CCHH){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	113.3380	0.223	3	113.3380	0.050	3	113.7049	0.538	10	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CC[6a]HH){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	113.6835	0.494	2	113.6835	0.244	2	113.7049	0.538	10	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]H)(CH3){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<4>,2|H<1>,3|C<3>}	113.3600	0.000	1	113.3600	0.000	1	113.7049	0.538	10	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	N[5](B[5]C[5,6a]C[6a]Cl)(C[5]C[5,6a]H)(CC3){4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	114.4660	0.000	1	114.4660	0.000	1	113.7049	0.538	10	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(CC[5]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	112.9390	0.000	1	112.9390	0.000	1	113.7049	0.538	10	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H)	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	113.8255	0.055	4	113.8255	0.003	4	113.8255	0.003	4	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,1|N<2>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]N[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|H<1>,3|C<3>}	106.7200	0.000	1	106.7200	0.000	1	106.5477	0.069	7	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	106.7230	0.000	1	106.7230	0.000	1	106.5477	0.069	7	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	106.3150	0.000	1	106.3150	0.000	1	106.5477	0.069	7	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|H<1>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH){3|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|H<1>,3|C<4>}	106.2240	0.000	1	106.2240	0.000	1	106.5477	0.069	7	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	106.3370	0.000	1	106.3370	0.000	1	106.5477	0.069	7	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.7575	0.255	2	106.7575	0.065	2	106.5477	0.069	7	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.7280	0.000	1	106.7280	0.000	1	106.7280	0.000	1	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]S)(O)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]S)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	105.3610	0.000	1	105.3610	0.000	1	105.3610	0.000	1	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	106.5026	0.374	19	106.5026	0.140	19	106.5406	0.124	25	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|N<3>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	106.6415	0.207	4	106.6415	0.043	4	106.5406	0.124	25	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	107.0280	0.000	1	107.0280	0.000	1	106.5406	0.124	25	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	106.3730	0.000	1	106.3730	0.000	1	106.5406	0.124	25	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	107.2200	0.000	1	107.2200	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	107.0313	0.383	3	107.0313	0.147	3	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	106.2190	0.000	1	106.2190	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	107.7300	0.000	1	106.6950	0.862	5	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.4363	0.838	4	106.6950	0.862	5	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|O<2>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	106.1310	0.000	1	106.1310	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.0577	0.160	3	107.0577	0.025	3	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.7845	0.080	2	106.7845	0.006	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH){1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	106.6850	0.000	1	106.6850	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	106.5760	0.000	1	106.5760	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){1|N<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	106.0420	0.000	1	106.4250	0.118	3	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	106.6165	0.125	2	106.4250	0.118	3	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	105.8500	0.000	1	105.8500	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.2590	0.000	1	106.2590	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|Cl<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH){1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]Cl)(C[5]N[5]O){2|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	106.8080	0.000	1	106.8080	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.4770	0.000	1	106.4770	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.3055	0.237	2	107.3055	0.056	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	106.3020	0.000	1	106.3020	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	106.5055	0.008	2	106.5055	0.000	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	105.9900	0.264	3	105.9900	0.070	3	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	107.0010	0.000	1	107.0010	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.5580	0.000	1	106.5580	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.9300	0.024	2	106.9300	0.001	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,2|C<3>,2|F<1>}	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|F<1>,2|H<1>}	106.1740	0.000	1	106.1740	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	106.5430	0.160	2	106.5430	0.026	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	106.9525	0.529	14	106.9525	0.280	14	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<2>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,2|H<1>}	106.7720	0.000	1	106.7720	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	105.5610	0.921	2	105.5610	0.848	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	107.9790	0.000	1	107.9790	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]H)(C[5]N[5]O){1|C<4>,2|C<3>,3|H<1>}	106.8100	0.687	2	106.8100	0.472	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	105.3040	0.000	1	105.3040	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|C<3>,1|N<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]H)(C[5]N[5]O){1|C<3>,2|C<4>,3|H<1>}	105.6670	0.000	1	105.6670	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<3>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	105.7110	0.000	1	105.7110	0.000	1	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	106.5260	0.734	2	106.5260	0.539	2	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	106.0365	0.460	4	106.0365	0.211	4	106.6100	0.391	69	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){1|O<2>,4|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	106.4710	0.214	2	106.4710	0.046	2	106.3903	0.042	3	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]C)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|C<4>,3|C<3>,4|H<1>}	106.2290	0.000	1	106.2290	0.000	1	106.3903	0.042	3	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|N<2>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){1|C<3>,1|N<2>}	C[5,6a](C[6a]C[6a,6a]C[6a])(C[5,6a]N[6a]C[5])(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	107.0260	0.000	1	107.0260	0.000	1	107.0260	0.000	1	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[4]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	105.8820	0.000	1	105.8820	0.000	1	105.8820	0.000	1	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	106.7130	0.289	4	106.7423	0.058	6	106.7423	0.058	6	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	106.8010	0.167	2	106.7423	0.058	6	106.7423	0.058	6	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,1|H<1>,3|C<3>}	N[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	105.0020	0.000	1	105.0020	0.000	1	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	105.2640	0.000	1	105.2640	0.000	1	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	105.0240	0.000	1	105.0240	0.000	1	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	105.2380	0.000	1	105.1231	0.048	8	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	105.5080	0.000	1	105.1231	0.048	8	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(SC[6a]OO){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|S<4>,2|C<3>,3|H<1>}	105.0398	0.165	6	105.1231	0.048	8	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(SC[6a]OO){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	105.9450	0.000	1	105.9450	0.000	1	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]O){1|C<3>,1|S<4>,4|H<1>}	105.4040	0.000	1	105.4040	0.000	1	105.2018	0.088	13	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[5a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5a,6a]C[5a,6a]2)(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|N<3>,1|S<4>,2|H<1>,3|C<3>}	105.3530	0.000	1	105.3530	0.000	1	105.3530	0.000	1	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6,6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	104.7123	0.224	3	104.7123	0.050	3	104.8028	0.066	4	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]C[5]S)(O){2|H<1>,3|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a]C[5])(C[5]N[5]O){1|Si<4>,1|S<4>,3|C<3>,3|H<1>}	105.0740	0.000	1	105.0740	0.000	1	104.8028	0.066	4	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	109.2840	0.000	1	109.2840	0.000	1	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.7694	0.343	26	108.7694	0.118	26	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[5a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	109.1380	0.000	1	109.1380	0.000	1	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	109.0787	0.399	3	109.0787	0.159	3	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.9430	0.003	2	108.9430	0.000	2	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CClHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.5640	0.000	1	108.5640	0.000	1	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.7970	0.000	1	108.7970	0.000	1	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHO){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.4465	0.528	2	108.4465	0.279	2	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CHHS){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	109.1795	0.559	2	109.1795	0.313	2	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CN[5a]CH){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	109.0960	0.000	1	109.0960	0.000	1	108.8314	0.132	40	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C-4:	C[6a,6a]-3:C[5,6a]-3:C[5]-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O)	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5]S[5]C)(O){2|O<1>,3|C<3>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[6a,6a]S[5])(C[5]N[5]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	108.9350	0.973	3	108.9350	0.948	3	108.9350	0.948	3	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.5550	0.000	1	108.5550	0.000	1	108.5550	0.000	1	107.4906	4.594	190	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:H-1:	B[5]-4:C-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H)	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(H){1|H<1>,2|C<3>,2|O<2>}	N[5](B[5]C[5,6a]OO)(CC[5a]C[6a]H)(C[5]C[5,6a]H){2|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	110.9750	7.691	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[6]-4:S[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	109.0140	0.000	1	109.0140	0.000	1	109.0140	0.000	1	110.9750	7.691	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	5:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	P[4,5]-5:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){1|H<1>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.7890	0.000	1	108.8570	0.003	3	108.8570	0.003	3	108.8570	0.003	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	5:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	P[4,5]-5:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O)	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[4,5]H)(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	N[5](P[4,5]C[5,6a]C[6a]C[4]O[4])(C[5]C[5,6a]O)(H){3|C<4>,4|C<3>}	C[5,6a](C[5,6a]P[4,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.8910	0.000	2	108.8570	0.003	3	108.8570	0.003	3	108.8570	0.003	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	6:3:3:	3:3:3:	N[5]-3:C[5,6a]-3:O-1:	B[5x3,5x5,20x6]-6:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|B<5>,1|H<1>,1|O<1>,2|B<6>,2|C<3>,2|C<6>}	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(C[5]C[5,6a]O)2{2|C<3>,4|H<1>,5|B<6>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	106.5150	0.000	1	106.5150	0.000	1	106.7537	0.088	6	106.7537	0.088	6	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	6:3:3:	3:3:3:	N[5]-3:C[5,6a]-3:O-1:	B[5x3,5x5,20x6]-6:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|C<6>,1|H<1>,1|O<1>,2|C<3>,4|B<6>}	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]O)2{1|C<6>,2|C<3>,4|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	106.6990	0.447	2	106.6990	0.200	2	106.7537	0.088	6	106.7537	0.088	6	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:1:	6:3:3:	3:3:3:	N[5]-3:C[5,6a]-3:O-1:	B[5x3,5x5,20x6]-6:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O)	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5,6a]O)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](N[5]B[5x3,5x5,20x6]C[5])(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,1|O<1>,2|C<3>,5|B<6>}	N[5](B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[5]C[5,6a]O)2{2|C<3>,2|C<6>,3|B<6>,5|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|B<6>,1|C<3>,1|O<1>,2|H<1>}	106.8697	0.263	3	106.8697	0.069	3	106.7537	0.088	6	106.7537	0.088	6	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N[6a])(C[5]N[5]N){1|O<1>,5|C<3>}	104.8330	0.000	1	104.8330	0.000	1	104.8330	0.000	1	105.0137	0.797	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|O<1>,2|C<3>,2|H<1>}	104.2250	0.000	1	104.2250	0.000	1	105.1040	1.545	2	105.0137	0.797	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]N)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|O<1>,2|C<3>,2|H<1>}	105.9830	0.000	1	105.9830	0.000	1	105.1040	1.545	2	105.0137	0.797	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-2:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC)	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]C)(CC){1|Rh<4>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]Rh)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Rh<4>,1|C<3>,1|C<4>,2|H<1>}	106.0310	0.491	2	106.0310	0.241	2	106.0310	0.241	2	106.0334	0.789	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.2280	0.290	2	105.2280	0.084	2	105.4672	0.104	5	106.0334	0.789	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.3210	0.000	1	105.3210	0.000	1	105.4672	0.104	5	106.0334	0.789	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.8010	0.000	1	105.8010	0.000	1	105.4672	0.104	5	106.0334	0.789	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.7580	0.000	1	105.7580	0.000	1	105.4672	0.104	5	106.0334	0.789	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-2:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OPd)	N[5](C[5]C[5,6a]O)2(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OPd){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	107.4515	0.170	2	107.4515	0.029	2	107.4515	0.029	2	106.0334	0.789	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a])	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5a]C[5])(NC[5a]){1|N<2>,3|C<3>,3|H<1>}	N[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,1|O<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	105.4920	0.000	1	105.4920	0.000	1	105.4920	0.000	1	105.7670	0.151	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	3:4:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[6a]-3:C[5]-4:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a])	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]){1|N<2>,3|C<3>,3|H<1>}	N[5](C[6a]C[6a]N[6a])(C[5]C[5,6a]HH)(C[5]C[5,6a]N){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	106.0420	0.000	1	106.0420	0.000	1	106.0420	0.000	1	105.7670	0.151	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5])	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NC[5]){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|O<2>,4|H<1>}	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	107.3910	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a])	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	106.8240	0.148	2	106.8240	0.022	2	106.8240	0.022	2	107.1457	0.321	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:2:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-2:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(ORe)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(ORe){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,4|H<1>}	107.7890	0.000	1	107.7890	0.000	1	107.7890	0.000	1	107.1457	0.321	3	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCC){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	104.8390	0.000	1	104.8390	0.000	1	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	105.3078	0.621	9	105.3078	0.385	9	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5]Cl)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5]Cl){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	105.8060	0.141	2	105.8060	0.020	2	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[5a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	104.9910	0.000	1	104.9910	0.000	1	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Br){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	105.9223	0.213	3	105.9223	0.045	3	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]C){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	105.3730	0.000	1	105.3730	0.000	1	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]Cl){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	105.6615	0.206	2	105.6615	0.042	2	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	105.0052	0.222	5	105.0052	0.049	5	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]H){1|O<1>,1|O<2>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	104.9490	0.000	1	104.9490	0.000	1	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]I){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	105.0200	0.000	1	105.0200	0.000	1	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	105.5160	0.329	3	105.6674	0.155	5	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	105.5550	0.000	1	105.6674	0.155	5	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CHS){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,3|H<1>}	106.2340	0.000	1	105.6674	0.155	5	105.3873	0.246	31	105.3873	0.246	31	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CCH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	103.6780	0.000	1	103.6780	0.000	1	103.4225	0.131	2	103.4225	0.131	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	103.1670	0.000	1	103.1670	0.000	1	103.4225	0.131	2	103.4225	0.131	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:C[5]-3:N[5]-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5])	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]C[6a]C[5]){1|H<1>,1|O<1>,8|C<3>}	N[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	104.2615	0.005	2	104.2615	0.000	2	104.2615	0.000	2	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCN)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCN){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	104.6950	0.000	1	104.6950	0.000	1	104.9980	0.079	8	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]2){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|O<1>,3|C<3>}	105.2167	0.148	3	105.2167	0.022	3	104.9980	0.079	8	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	104.8557	0.323	3	104.8557	0.104	3	104.9980	0.079	8	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CHH){1|C<4>,1|N<2>,1|O<1>,3|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]N[6a]C)(C[5]N[5]C){1|O<1>,3|C<3>}	105.0720	0.000	1	105.0720	0.000	1	104.9980	0.079	8	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CC[6a]Si){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	102.9708	0.647	5	102.9708	0.419	5	102.8822	0.382	6	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	102.4390	0.000	1	102.4390	0.000	1	102.8822	0.382	6	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[6a]-3:C[5]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC[6a]H){1|H<1>,1|O<1>,4|C<3>}	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5,6a]O){1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|O<1>,2|C<3>,2|H<1>}	104.9260	0.096	2	104.9260	0.009	2	104.9260	0.009	2	104.2029	1.121	18	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,1|H<1>,2|F<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3){4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	106.3600	0.337	2	106.0680	0.236	4	106.1726	0.232	5	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Rh<4>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Rh)(CH3){4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	105.7760	0.505	2	106.0680	0.236	4	106.1726	0.232	5	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:C-4:	N[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3)	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]N[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C){1|Se<1>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(C[5]N[5,6a]Se)(CH3){4|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|Se<1>,1|C<4>,2|H<1>,3|C<3>}	106.5910	0.000	1	106.5910	0.000	1	106.1726	0.232	5	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CB[5,5]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	104.5760	0.000	1	104.5760	0.000	1	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.7440	0.000	1	105.7440	0.000	1	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.7620	0.000	1	105.7620	0.000	1	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.1170	0.468	2	105.1170	0.219	2	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCH){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	105.5280	0.000	1	105.5280	0.000	1	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCN){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.6925	0.433	2	105.6925	0.188	2	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[3]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.2255	0.179	2	105.2255	0.032	2	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	105.1700	0.000	1	105.1700	0.000	1	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.0937	0.198	3	105.0937	0.039	3	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]H){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.3170	0.116	4	105.3170	0.013	4	105.2999	0.122	18	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	105.1680	0.000	1	105.1680	0.000	1	105.1680	0.000	1	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:N[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5]C)(CNO){1|C<4>,1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|C<4>,2|H<1>}	107.3630	0.000	1	107.3630	0.000	1	107.3630	0.000	1	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-3:	C[5]-3:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC)	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]N)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	106.3100	0.000	1	106.3100	0.000	1	106.3100	0.000	1	105.5809	0.402	26	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-3:B[5]-4:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N)	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]B[5]N){2|O<2>,3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C){4|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|H<1>,2|O<2>,3|C<3>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NCH)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(NCH){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,5|H<1>}	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	108.9270	0.000	1	108.9270	0.000	1	107.4839	0.312	9	107.4839	0.312	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]Pd)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]Pd){3|H<1>,4|C<3>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(C[6a]C[6a]2){1|Pd<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,4|H<1>}	107.3035	0.148	8	107.3035	0.022	8	107.4839	0.312	9	107.4839	0.312	9	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CCO){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	112.8350	0.000	1	112.8350	0.000	1	113.1590	0.210	2	109.0727	9.269	7	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]O){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CH3){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	113.4830	0.000	1	113.4830	0.000	1	113.1590	0.210	2	109.0727	9.269	7	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	P[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH)	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH)	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(CHH){1|H<1>,1|O<1>,3|C<3>}	N[5](P[5]C[5,6a]C[6a]O)(C[5]C[5,6a]C)(CCCH){4|C<3>}	C[5,6a](C[5,6a]C[6a]P[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	108.7330	0.000	1	108.7330	0.000	1	108.7330	0.000	1	109.0727	9.269	7	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CHS){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.2990	0.897	2	108.2990	0.804	2	108.2990	0.804	2	109.0727	9.269	7	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCoC)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCoC){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,4|H<1>}	106.1910	0.000	1	106.1910	0.000	1	105.9300	0.136	2	109.0727	9.269	7	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:N-3:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCuC){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|C<4>,4|H<1>}	105.6690	0.000	1	105.6690	0.000	1	105.9300	0.136	2	109.0727	9.269	7	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	3:2:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:O[5]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH)	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]O[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	N[5](C[5]C[5,6a]C)(O[5]C[5,6a])(O){2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	3:3:1:	3:2:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:	C[5,6a]-3:N[6a]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH)	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]N[5]H)(CCHH){1|C<4>,2|C<3>}	N[5](C[5]C[5,6a]C)(N[5]C[5,6a]C)(H){1|C<3>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(N[6a]C[6a])(C[5]N[5]C){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	3:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:H-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3)	N[5](C[5]N[5,6a]Fe)(C[5]C[5,6a]C)(H)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]N[5,6a]C[6a])(N[5]C[5]H)(CH3){1|Fe<5>,1|H<1>,2|C<3>}	N[5](C[5]N[5,6a]Fe)(C[5]C[5,6a]C)(H){2|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Fe<5>,1|C<3>,3|H<1>}	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	104.9940	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	Ge[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Cl<1>,1|H<1>,4|C<3>}	N[5](Ge[5]C[5,6a]Cl)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	115.4625	0.333	2	115.4625	0.111	2	115.3282	0.115	4	115.3282	0.115	4	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	Ge[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3)	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]Ge[5])(CH3){1|Ge<3>,1|H<1>,4|C<3>}	N[5](Ge[5]C[5,6a]Ge[5])(C[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(C[5]N[5]C){1|Ge<3>,1|H<1>,1|O<2>,2|C<3>}	115.1940	0.403	2	115.1940	0.162	2	115.3282	0.115	4	115.3282	0.115	4	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	S[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]H)(CCHH){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(H){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,2|O<1>,3|H<1>}	117.0285	0.940	2	117.0285	0.883	2	117.0285	0.883	2	117.0285	0.883	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC[6a]HN){1|H<1>,4|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C)(CC[6a]HH){6|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,2|H<1>,3|C<3>}	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	110.2010	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	6:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	Nb[5,5]-6:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	117.4880	0.957	4	117.4880	0.916	4	117.3015	0.657	6	117.3015	0.657	6	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	6:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	Nb[5,5]-6:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3)	N[5](Nb[5,5]C[5,6a]2N[5]NO)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C[6a])(CH3){1|H<1>,1|N<2>,1|N<3>,1|O<2>,5|C<3>}	N[5](Nb[5,5]C[5,6a]2N[5]NO)(C[5]C[5,6a]C)(C[6a]C[6a]2){2|C<4>,8|C<3>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|H<1>,1|N<2>,1|N<3>,2|O<2>,3|C<3>}	116.9285	0.346	2	116.9285	0.120	2	117.3015	0.657	6	117.3015	0.657	6	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	6:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	Nb[5,5]-6:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3)	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(CC3)	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[5,5]C)(CH3){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5](Nb[5,5]C[5,6a]2N[5]ClN)(C[5]C[5,6a]C)(CC3){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6a]Nb[5,5])(C[6a]C[6a]H)(C[5]N[5]C){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	117.4415	0.306	2	117.4415	0.094	2	117.4415	0.094	2	117.4415	0.094	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:3:4:	7:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-4:	Nb[3,5,5]-7:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3)	N[5](Nb[3,5,5]C[5,6a]2C[3]H[3]N[5]N)(C[5]C[5,6a]C)(C[6a]C[6a]2)	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Nb[3,5,5]C[6a])(CH3){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,5|C<3>}	N[5](Nb[3,5,5]C[5,6a]2C[3]H[3]N[5]N)(C[5]C[5,6a]C)(C[6a]C[6a]2){1|Si<4>,1|H<1>,2|C<4>,8|C<3>}	C[5,6a](C[5,6a]Nb[3,5,5]C[5,6a])(C[6a]C[6a]H)(C[5]N[5]C){1|C<4>,1|H<1>,1|H<2>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	118.1565	0.999	2	118.1565	0.998	2	118.1565	0.998	2	118.1565	0.998	2	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP2	C[5]	N[5]	C[5,6a]	3:4:3:	4:3:4:	3:3:3:	C[5,6a]-3:C[5]-4:N[5]-3:	B[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH)	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C){1|B<3>,1|C<4>,1|H<1>,6|C<3>}	N[5](B[5]C[5,6a]C[6a]2)(C[5]C[5,6a]C[5])(CC[6a]HH){1|H<1>,1|N<3>,7|C<3>}	C[5,6a](C[5,6a]C[6a]B[5])(C[5]C[5]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	111.5360	0.000	1	111.5360	0.000	1	111.5360	0.000	1	111.5360	0.000	1	106.1886	3.067	2368	106.3159	3.860	2673
818	542	727	5:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	104.7400	0.000	1	104.7400	0.000	1	104.7400	0.000	1	106.6660	7.419	2	108.1870	5.558	4	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-3:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	106.6660	7.419	2	108.1870	5.558	4	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5,6]	N[5,6]	C[5,6a]	3:3:3:	3:4:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-3:	C[5,6]-3:S[5]-4:C[6]-4:	C[5,6]-3:C[5,6a]-3:C[6a]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6]N[5,6]C[6])(C[5,6a]C[6a]S[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	109.7080	0.000	2	109.7080	0.000	2	109.7080	0.000	2	109.7080	0.000	2	108.1870	5.558	4	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	106.0000	0.000	1	105.7324	0.349	8	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	105.8030	0.000	1	105.7324	0.349	8	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	105.5290	0.000	1	105.7324	0.349	8	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<2>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.2560	0.673	2	105.7324	0.349	8	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.0860	0.000	1	105.7324	0.349	8	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]O){3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	104.9645	0.138	2	105.7324	0.349	8	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|P<4>,5|C<3>}	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]P)(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	106.0520	0.000	1	106.0520	0.000	1	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,5|C<3>}	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O){1|O<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	106.6210	0.000	1	106.6210	0.000	1	105.8532	0.354	10	105.8532	0.354	10	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[3x5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O)	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[3x5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){1|C<2>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[3x5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	106.0120	0.000	1	106.0120	0.000	1	106.0120	0.000	1	106.0940	0.177	3	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(O){1|C<4>,1|H<1>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O){2|H<1>,7|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	105.7200	0.000	1	105.7200	0.000	1	105.7200	0.000	1	106.0940	0.177	3	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|H<1>,1|O<2>,5|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[6a]C[5])(C[5]C[5,6a]O){1|H<1>,1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	106.5500	0.000	1	106.5500	0.000	1	106.5500	0.000	1	106.0940	0.177	3	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,3|C<3>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){5|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	105.9230	0.000	1	106.0895	0.055	2	106.2364	0.164	8	106.2364	0.164	8	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){2|C<3>,2|C<4>,4|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	106.2560	0.000	1	106.0895	0.055	2	106.2364	0.164	8	106.2364	0.164	8	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|H<1>,1|O<2>,6|C<3>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.1800	0.000	1	106.1800	0.000	1	106.2364	0.164	8	106.2364	0.164	8	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.6305	0.298	2	106.6130	0.045	3	106.2364	0.164	8	106.2364	0.164	8	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	106.5780	0.000	1	106.6130	0.045	3	106.2364	0.164	8	106.2364	0.164	8	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	105.5120	0.000	1	105.5120	0.000	1	106.2364	0.164	8	106.2364	0.164	8	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,5]-3:O-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O)	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[5]N[5,5]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	106.1810	0.000	1	106.1810	0.000	1	106.2364	0.164	8	106.2364	0.164	8	106.0336	0.268	21	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,6,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,2|H<1>,4|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	106.5860	0.000	1	106.5860	0.000	1	106.9300	0.237	2	106.9300	0.237	2	106.9300	0.237	2	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,6,6]	C[5,6a]	3:3:1:	4:4:3:	3:3:3:	N[5,6,6]-3:C[5,6a]-3:O-1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(C[5]N[5,6,6]O)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	107.2740	0.000	1	107.2740	0.000	1	106.9300	0.237	2	106.9300	0.237	2	106.9300	0.237	2	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5,6a]	3:3:1:	3:4:3:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-3:C[6]-4:C[5]-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|H<1>,5|C<3>}	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.3800	0.000	1	106.4108	0.154	5	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	106.7070	0.000	1	106.7070	0.000	1	106.5567	0.193	3	106.4185	0.205	4	106.4108	0.154	5	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	106.9010	0.000	1	106.9010	0.000	1	106.5567	0.193	3	106.4185	0.205	4	106.4108	0.154	5	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]N[6a])(C[5]N[5,6]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>}	106.0620	0.000	1	106.0620	0.000	1	106.5567	0.193	3	106.4185	0.205	4	106.4108	0.154	5	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5,6]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5,6]-3:O-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[5]N[5,6]O){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>}	106.0040	0.000	1	106.0040	0.000	1	106.0040	0.000	1	106.4185	0.205	4	106.4108	0.154	5	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,5a]	3:3:1:	3:3:3:	3:3:3:	C[5,5a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,5a]-3:C[5a]-3:C[5]-3:	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O)	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(COO)	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(O){1|N<3>,3|C<3>}	N[5](C[5]C[5,5a]C[5a])(C[5]C[5,5a]O)(COO){1|S<2>,3|C<3>}	C[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]N[5a])(C[5]N[5]O){1|O<1>,1|S<2>,4|C<3>}	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O)	N[5](C[5]C[5,6a]O)2(CCC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)2(CCC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	106.4495	0.439	2	106.4495	0.193	2	106.4495	0.193	2	106.2742	0.976	8	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]O)2(C[6a]C[6a]2){1|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]H)(C[5]N[5]O){1|H<1>,1|O<1>,3|C<3>}	106.0095	0.166	2	106.0095	0.028	2	106.0095	0.028	2	106.2742	0.976	8	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[3]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O)	N[5](C[5]C[5,6a]O)2(N[3]C[3]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[3])(O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	N[5](C[5]C[5,6a]O)2(N[3]C[3]2){1|B<3>,1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	105.8350	0.505	2	105.8350	0.255	2	105.8350	0.255	2	106.2742	0.976	8	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(O){1|H<1>,5|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|C<3>,2|H<1>}	105.1890	0.000	1	105.1890	0.000	1	105.1890	0.000	1	106.2742	0.976	8	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-3:S[5]-3:C-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O)	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	N[5](C[5]C[5,6a]O)(S[5]C[5,6a]O)(CN[6]O){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	106.2742	0.976	8	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:1:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O)	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(O){1|H<1>,4|C<3>}	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(H){4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){3|C<3>,3|H<1>}	106.4700	0.000	1	106.4700	0.000	1	106.4700	0.000	1	106.4700	0.000	1	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|H<1>,2|O<2>,3|C<3>}	104.5380	0.000	1	104.5380	0.000	1	104.4605	0.012	2	104.4605	0.012	2	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:2:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:O-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(O){1|H<1>,1|O<2>,3|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(OC){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<2>}	104.3830	0.000	1	104.3830	0.000	1	104.4605	0.012	2	104.4605	0.012	2	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5,6]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]N)(O){1|H<1>,4|C<3>}	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	106.2090	0.000	1	106.2090	0.000	1	106.2090	0.000	1	108.4672	4.376	5	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O)	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[6a]C[6a]2){1|H<1>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	106.5890	0.000	1	106.5890	0.000	1	106.5890	0.000	1	108.4672	4.376	5	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	S[5]-4:C[5]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]S[5])(O){1|H<1>,2|O<1>,4|C<3>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6a]C[6a]2){2|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]O){2|C<3>,2|H<1>,2|O<1>}	108.6430	0.000	1	108.6430	0.000	1	108.6430	0.000	1	108.4672	4.376	5	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	Se[5,5]-4:C[6a]-3:C[5]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O)	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O)	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]Se[5,5]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	N[5](Se[5,5]C[5,6a]2N[5])(C[6a]C[6a,6a]C[6a])(C[5]C[5,6a]O){1|H<1>,9|C<3>}	C[5,6a](C[5,6a]Se[5,5]C[6a])(C[6a]C[6a]H)(C[5]N[5]O){1|N<3>,2|H<1>,3|C<3>}	110.4475	1.001	2	110.4475	1.001	2	110.4475	1.001	2	108.4672	4.376	5	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:1:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:O-1:	C[5]-4:C[5]-3:S-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(O){1|C<4>,2|C<3>,2|H<1>}	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(SC[6a]OO){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]O){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	105.8240	0.000	1	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:2:	4:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:N-2:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(NN){2|C<3>,3|H<1>}	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH){2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]N){1|C<3>,1|N<3>,4|H<1>}	105.3920	0.000	1	105.3920	0.000	1	105.3920	0.000	1	105.3920	0.000	1	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:	3:3:3:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N[5a]-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]N[5a]C[5])(CSiC){1|H<1>,1|O<1>,4|C<3>}	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(N[5a]C[5a]2){2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	101.4650	0.000	1	101.4650	0.000	1	101.4650	0.000	1	101.4650	0.000	1	106.4623	4.423	20	106.3791	2.532	53
818	542	727	5:SP2_SP2_SP3	C[5]	N[5]	C[5,6a]	3:3:3:	4:3:4:	3:3:3:	C[5,6a]-3:N[5]-3:C-3:	S[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CClH){1|H<1>,2|C<3>,2|O<1>}	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]C)(CH3){2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]N[5]C){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|O<1>}	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	108.6450	0.000	1	106.4623	4.423	20	106.3791	2.532	53
818	542	727	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[5,6]-3:N[5]-3:	C[5,6a]-3:C[5,6]-3:C[6]-3:	N[5a,6]-3:C[5,6]-3:C[5a]-3:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<2>,2|C<4>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]N[6a])(C[5,6]C[5a,6]N[5])(C[6]C[6]C){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]N[5])(C[5a]C[5a,6a]C){2|H<1>,5|C<3>}	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	115.2698	8.526	5	115.2698	8.526	5
818	542	727	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:	3:3:4:	3:3:3:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5,6a]-3:C[5,6]-3:B[6]-4:	N[5a,6a]-3:C[5,6]-3:C[5a,6]-3:	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6])	C[5,6](C[5a,6]N[5a,6a]C[5a,6])(N[5,6]C[5,6a]B[6])(C[5]N[5,6a]H){1|N<2>,1|O<2>,2|F<1>,4|C<3>}	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[5a,6]C[5])(B[6]O[6]FF){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5,6]N[5,6]C[5])(C[5a,6]N[5a]O[6]){1|B<4>,1|N<3>,2|H<1>,3|C<3>}	113.4610	0.018	2	113.4610	0.000	2	113.4610	0.000	2	113.4610	0.000	2	115.2698	8.526	5	115.2698	8.526	5
818	542	727	6:SP2_SP2_SP2	C[5,6]	N[5,6]	C[5a,6]	3:3:3:	3:4:3:	3:3:3:	C[5a,6]-3:N[5,6]-3:C[5]-3:	C[5,6]-3:C[6]-4:C[5]-3:	C[5a,6]-3:C[5,6]-3:N[5a]-3:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H)	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[5,6]N[5,6]C[5])(N[5a]C[5a,6a]C){1|C<4>,3|H<1>,4|C<3>}	114.5105	0.168	2	114.5105	0.028	2	114.5105	0.028	2	114.5105	0.028	2	115.2698	8.526	5	115.2698	8.526	5