922	643	643	0:SP3_SP2_SP2	S[6]	C[6,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:C[6a]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6a](S[6]C[6,6a]2)(C[6a]C[6a]H)2	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](S[6]C[6,6a]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	101.8380	0.526	2	101.8380	0.277	2	101.8380	0.277	2	101.8380	0.277	2	101.8380	0.277	2	101.8380	0.277	2
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	94.9799	0.887	3	94.9799	0.786	3	96.2052	1.347	9	96.2052	1.347	9	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	96.0927	0.000	1	97.1014	0.769	3	96.2052	1.347	9	96.2052	1.347	9	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	97.6058	0.104	2	97.1014	0.769	3	96.2052	1.347	9	96.2052	1.347	9	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	96.3698	0.513	2	96.3698	0.263	2	96.2052	1.347	9	96.2052	1.347	9	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	96.8634	0.000	1	96.8634	0.000	1	96.2052	1.347	9	96.2052	1.347	9	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	100.3135	0.887	2	100.3135	0.788	2	99.9874	0.713	3	99.6345	0.973	4	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	99.3352	0.000	1	99.3352	0.000	1	99.9874	0.713	3	99.6345	0.973	4	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	98.5757	0.000	1	98.5757	0.000	1	98.5757	0.000	1	99.6345	0.973	4	97.4489	3.638	15	97.4489	3.638	15
922	643	643	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6,6a]	3:3:4:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-4:	C[6,6a]-3:S[6]-3:C[6a]-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(CCCH)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	S[6](C[6,6a]C[6,6a]C[6a])2(CCCH){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	98.6744	1.097	2	98.6744	1.203	2	98.6744	1.203	2	98.6744	1.203	2	97.4489	3.638	15	97.4489	3.638	15
922	643	762	0:SP3_SP2_SP2	S[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S[6]-3:	C[6]-3:S[6]-3:C[6a]-3:	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(S[6]C[6]2)	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2)	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(S[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	99.6048	0.000	1	99.6048	0.000	1	99.6048	0.000	1	101.7532	4.540	4	101.7532	4.540	4	101.7532	4.540	4
922	643	762	0:SP3_SP2_SP2	S[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:S[6]-3:	S[6]-3:C[6a]-3:C[6]-3:	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(S[6]C[6]2)	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H)	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(S[6]C[6]2){2|H<1>,5|C<3>}	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H){2|H<1>,8|C<3>}	103.3130	0.000	1	103.3130	0.000	1	103.3130	0.000	1	101.7532	4.540	4	101.7532	4.540	4	101.7532	4.540	4
922	643	762	0:SP3_SP2_SP2	S[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:S[6]-3:	C[6]-3:S[6]-3:C[6a]-3:	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(S[6]C[6]2)	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2)	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|B<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(S[6]C[6]2){2|H<1>,5|C<3>}	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	100.2590	0.000	1	100.2590	0.000	1	100.2590	0.000	1	101.7532	4.540	4	101.7532	4.540	4	101.7532	4.540	4
922	643	762	0:SP3_SP2_SP2	S[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:S[6]-3:	S[6]-3:C[6]-3:C-3:	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6a](C[6a]C[6a]H)2(S[6]C[6]2)	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC)	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|B<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(S[6]C[6]2){2|H<1>,5|C<3>}	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC){6|C<3>}	103.8360	0.000	1	103.8360	0.000	1	103.8360	0.000	1	101.7532	4.540	4	101.7532	4.540	4	101.7532	4.540	4
922	643	762	6:SP3_SP2_SP2	S[6]	C[6,6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:C[6]-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO)	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,3|H<1>}	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	98.1050	0.101	2	98.1050	0.010	2	98.1050	0.010	2	98.1050	0.010	2	98.1050	0.010	2	98.1050	0.010	2
922	643	856	0:SP3_SP2_SP2	S[6]	C[6a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N[6]-3:N[6]-3:	C[6a]-3:C[6a]-3:S[6]-3:	S[6]-3:Ge[6]-3:Si-4:	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2	C[6a](C[6a]C[6a]H)2(S[6]N[6]2)	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3)	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2{2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(S[6]N[6]2){2|Ge<3>,2|Si<4>,1|C<3>,2|H<1>}	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3){1|Ge<3>,1|Si<4>,1|S<3>,2|C<3>}	104.9705	2.593	2	104.9705	6.723	2	104.9705	6.723	2	104.9705	6.723	2	104.9705	6.723	2	104.9705	6.723	2
922	643	856	6:SP3_SP2_SP3	S[6]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:4:4:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:C[6]-4:S-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N)	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO){2|Cl<1>,2|C<3>}	99.7066	0.000	1	99.7066	0.000	1	99.7066	0.000	1	99.7066	0.000	1	99.7066	0.000	1	99.7066	0.000	1
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:2:1:	3:3:3:	3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	O(S[6]C[6,6a]N[6])	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	O(S[6]C[6,6a]N[6])	104.7310	0.719	3	104.7310	0.517	3	104.7310	0.517	3	104.7310	0.517	3	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H)	O(S[6]C[6,6a]2)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(S[6]C[6,6a]2)	107.5282	0.462	6	107.5282	0.213	6	107.2416	0.318	18	107.0680	0.574	20	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	O(S[6]C[6,6a]2)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]2)	107.0725	0.443	2	106.7227	0.192	6	107.2416	0.318	18	107.0680	0.574	20	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	O(S[6]C[6,6a]2)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(S[6]C[6,6a]2)	106.5478	0.363	4	106.7227	0.192	6	107.2416	0.318	18	107.0680	0.574	20	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	O(S[6]C[6,6a]2)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	O(S[6]C[6,6a]2)	107.3237	0.447	4	107.3237	0.199	4	107.2416	0.318	18	107.0680	0.574	20	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])2(O)	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H)	O(S[6]C[6,6a]2)	S[6](C[6,6a]C[6,6a]C[6a])2(O){1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(S[6]C[6,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(S[6]C[6,6a]2)	107.7740	0.293	2	107.7740	0.086	2	107.2416	0.318	18	107.0680	0.574	20	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	O(S[6]C[6,6a]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,3|H<1>}	O(S[6]C[6,6a]C[6])	105.5065	0.267	2	105.5065	0.071	2	105.5065	0.071	2	107.0680	0.574	20	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	O(S[6]C[6,6a]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){2|C<3>,2|H<1>,4|C<4>}	O(S[6]C[6,6a]C[6])	106.0270	0.000	1	106.0270	0.000	1	107.7183	2.201	3	107.7183	2.201	3	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O)	O(S[6]C[6,6a]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]C[6]O){3|C<3>,4|H<1>}	O(S[6]C[6,6a]C[6])	108.8000	0.000	1	108.8000	0.000	1	107.7183	2.201	3	107.7183	2.201	3	106.8734	1.320	26	106.8734	1.320	26
922	643	863	0:SP3_SP2_SP2	S[6]	C[6,6a]	O	3:4:1:	3:3:3:	3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O)	O(S[6]C[6,6a]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	O(S[6]C[6,6a]C[6])	108.3280	0.000	1	108.3280	0.000	1	107.7183	2.201	3	107.7183	2.201	3	106.8734	1.320	26	106.8734	1.320	26
922	643	874	0:SP3_SP2_SP3	S[6]	C[6a]	B[6]	4:3:4:	3:3:3:	3:3:3:4:	B[6]-4:C[6a]-3:C[6]-4:	S[6]-3:C[6a]-3:C[6a]-3:	S[6]-3:C[6a]-3:C[6a]-3:C[6]-4:	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH)	C[6a](S[6]B[6]C[6])(C[6a]C[6a]H)2	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH)	S[6](B[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]B[6]HH){1|S<3>,4|H<1>,8|C<3>}	C[6a](S[6]B[6]C[6])(C[6a]C[6a]H)2{1|B<4>,1|C<4>,3|C<3>,4|H<1>}	B[6](S[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]S[6]HH){1|B<4>,2|H<1>,4|F<1>,7|C<3>}	106.1600	0.631	2	106.1600	0.398	2	106.1600	0.398	2	106.1600	0.398	2	106.1600	0.398	2	106.1600	0.398	2
922	643	914	0:SP3_SP2_SP2	S[6]	C[6a]	N[6]	3:4:2:	3:3:3:	3:3:	C[6a]-3:C[6]-4:N[6]-2:	S[6]-3:C[6a]-3:C[6a]-3:	S[6]-3:C[6]-3:	S[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])	C[6a](S[6]C[6]N[6])(C[6a]C[6a]H)2	N[6](S[6]C[6a]C[6])(C[6]O[6]O)	S[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](S[6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](S[6]C[6a]C[6])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	105.6480	0.000	1	105.6480	0.000	1	105.6480	0.000	1	105.6480	0.000	1	105.6480	0.000	1	105.6480	0.000	1
922	643	914	6:SP3_SP2_SP2	S[6]	C[6,6a]	N[6]	3:2:1:	3:3:3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6]-3:S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O){1|H<1>,1|S<2>,3|C<3>}	100.8230	0.000	1	100.8230	0.000	1	101.0897	0.055	3	101.0897	0.055	3	101.0897	0.055	3	101.0897	0.055	3
922	643	914	6:SP3_SP2_SP2	S[6]	C[6,6a]	N[6]	3:2:1:	3:3:3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	C[6,6a]-3:C[6a]-3:S[6]-3:	C[6]-3:S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O)	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(S[6]N[6]O){2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]O){1|H<1>,4|C<3>}	101.2230	0.062	2	101.2230	0.004	2	101.0897	0.055	3	101.0897	0.055	3	101.0897	0.055	3	101.0897	0.055	3
922	643	930	0:SP3_SP2_SP2	S[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:C-3:C-3:	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C(S[6]C[6,6a]2)(COO)2	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,4|C<3>}	C(S[6]C[6,6a]2)(COO)2	109.2083	0.423	3	109.2083	0.179	3	109.2083	0.179	3	109.2083	0.179	3	107.3206	6.893	5	107.3206	6.893	5
922	643	930	0:SP3_SP2_SP2	S[6]	C[6,6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:C-3:	C[6,6a]-3:S[6]-3:C[6a]-3:	S[6]-3:C-4:C-3:	S[6](C[6,6a]C[6,6a]C[6a])2(CCC)	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H)	C(S[6]C[6,6a]2)(CCHH)(CCH)	S[6](C[6,6a]C[6,6a]C[6a])2(CCC){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(S[6]C[6,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(S[6]C[6,6a]2)(CCHH)(CCH)	104.4890	0.699	2	104.4890	0.488	2	104.4890	0.488	2	104.4890	0.488	2	107.3206	6.893	5	107.3206	6.893	5
922	643	941	0:SP3_SP2_SP2	S[6]	C[6,6a]	N	3:3:2:	3:3:3:	3:4:	C[6,6a]-3:N[6]-3:N-2:	C[6,6a]-3:C[6a]-3:S[6]-3:	S[6]-3:S-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N)	N(S[6]C[6,6a]N[6])(SC[6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(S[6]N[6]N){2|Cl<1>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	N(S[6]C[6,6a]N[6])(SC[6a]OO)	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1	109.4160	0.000	1
922	762	762	6:SP3_SP2_SP2	S[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:S[6]-3:	C[6a]-3:C[6]-3:S[6]-3:	S[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	S[6](C[6]C[6a]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	100.7015	0.801	2	100.9572	0.185	6	100.9572	0.185	6	100.9572	0.185	6	102.6790	10.298	8	102.6790	10.298	8
922	762	762	6:SP3_SP2_SP2	S[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:S[6]-3:	C[6a]-3:C[6]-3:S[6]-3:	S[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	S[6](C[6]C[6a]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	101.0850	0.172	4	100.9572	0.185	6	100.9572	0.185	6	100.9572	0.185	6	102.6790	10.298	8	102.6790	10.298	8
922	762	762	6:SP3_SP2_SP2	S[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:S[6]-3:C[6a]-3:	S[6]-3:C[6a]-3:C[6]-3:	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H)	S[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6](S[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]H){2|H<1>,8|C<3>}	107.8090	0.000	1	107.8090	0.000	1	107.8090	0.000	1	107.8445	0.003	2	102.6790	10.298	8	102.6790	10.298	8
922	762	762	6:SP3_SP2_SP2	S[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:S[6]-3:C[6a]-3:	S[6]-3:C[6]-3:C-3:	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC)	S[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|B<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]B[6])(S[6]C[6a]C[6])(C[6a]C[6a]2){10|C<3>,2|H<1>}	C[6](S[6]C[6a]C[6])(C[6]B[6]H)(CCC){6|C<3>}	107.8800	0.000	1	107.8800	0.000	1	107.8800	0.000	1	107.8445	0.003	2	102.6790	10.298	8	102.6790	10.298	8
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[6]-3:O-1:	S[6]-3:C[6]-3:C-3:	S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO)	O(S[6]C[6,6a]C[6])	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](S[6]C[6,6a]O)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	O(S[6]C[6,6a]C[6])	107.7235	0.128	2	107.7235	0.016	2	107.7235	0.016	2	107.0288	1.504	14	107.1012	1.521	20	107.1012	1.521	20
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:S[6]-3:	S[6]-3:	S[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	O(S[6]C[6]2)	S[6](C[6]C[6a]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){1|C<4>,2|H<1>,5|C<3>}	O(S[6]C[6]2)	106.4787	1.639	4	106.9130	1.674	12	106.9130	1.674	12	107.0288	1.504	14	107.1012	1.521	20	107.1012	1.521	20
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	3:3:1:	3:3:3:	3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:S[6]-3:	S[6]-3:	S[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O)	O(S[6]C[6]2)	S[6](C[6]C[6a]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	O(S[6]C[6]2)	107.1301	1.148	8	106.9130	1.674	12	106.9130	1.674	12	107.0288	1.504	14	107.1012	1.521	20	107.1012	1.521	20
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	3:4:1:	3:3:2:	3:	C[6]-3:C[6]-4:O-1:	C[5a]-3:S[6]-3:N[6]-2:	S[6]-3:	S[6](C[6]C[5a]N[6])(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6])	O(S[6]C[6]2)	S[6](C[6]C[5a]N[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6]){1|C<4>,2|C<3>,3|H<1>}	O(S[6]C[6]2)	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	107.6730	0.000	1	107.1012	1.521	20	107.1012	1.521	20
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:O-1:	S[6]-3:S[6]-2:C-3:	S[6]-3:	S[6](C[6]C[6]CH)(C[6]S[6]C)(O)	C[6](S[6]C[6]O)(S[6]C[6])(CCC)	O(S[6]C[6]2)	S[6](C[6]C[6]CH)(C[6]S[6]C)(O){1|C<4>,2|H<1>}	C[6](S[6]C[6]O)(S[6]C[6])(CCC){2|H<1>,3|C<4>}	O(S[6]C[6]2)	108.3870	0.000	1	108.3870	0.000	1	108.3575	0.002	2	108.3575	0.002	2	107.1012	1.521	20	107.1012	1.521	20
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	4:3:1:	3:2:3:	3:	C[6]-4:C[6]-3:O-1:	S[6]-3:S[6]-2:C-3:	S[6]-3:	S[6](C[6]C[6]CH)(C[6]S[6]C)(O)	C[6](S[6]C[6]O)(S[6]C[6])(CHH)	O(S[6]C[6]2)	S[6](C[6]C[6]CH)(C[6]S[6]C)(O){1|C<4>,2|H<1>}	C[6](S[6]C[6]O)(S[6]C[6])(CHH){2|H<1>,3|C<4>}	O(S[6]C[6]2)	108.3280	0.000	1	108.3280	0.000	1	108.3575	0.002	2	108.3575	0.002	2	107.1012	1.521	20	107.1012	1.521	20
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	4:3:1:	3:3:2:	3:	C[6]-4:C[6]-3:O-1:	C[6]-3:S[6]-3:N-2:	S[6]-3:	S[6](C[6]C[6,6a]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(S[6]C[6]O)(NN)	O(S[6]C[6]2)	S[6](C[6]C[6,6a]HH)(C[6]C[6]N)(O){1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(S[6]C[6]O)(NN){2|C<3>,2|H<1>}	O(S[6]C[6]2)	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.9120	0.000	1	107.1012	1.521	20	107.1012	1.521	20
922	762	863	0:SP3_SP2_SP2	S[6]	C[6]	O	4:3:1:	3:3:3:	3:	C[6]-4:C[6]-3:O-1:	S[6]-3:S[6]-3:C-3:	S[6]-3:	S[6](C[6]C[6]HH)(C[6]S[6]C)(O)	C[6](S[6]C[6]O)2(CC[6a]H)	O(S[6]C[6]2)	S[6](C[6]C[6]HH)(C[6]S[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](S[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	O(S[6]C[6]2)	105.6600	0.983	2	105.6600	0.966	2	105.6600	0.966	2	105.6600	0.966	2	107.1012	1.521	20	107.1012	1.521	20
922	762	874	6:SP3_SP2_SP3	S[6]	C[6]	B[6]	4:3:4:	4:3:3:	3:3:3:3:	B[6]-4:C[6]-3:C-4:	B[6]-4:S[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-3:S[6]-3:	S[6](B[6]C[6a]2C[6])(C[6]B[6]C)(CH3)	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH)	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C)	S[6](B[6]C[6a]2C[6])(C[6]B[6]C)(CH3){1|S<3>,7|C<3>}	C[6](B[6]C[6a]2S[6])(S[6]B[6]C)(CCH){1|C<4>,7|C<3>}	B[6](C[6a]C[6a]2)2(C[6]S[6]C)(S[6]C[6]C){1|B<4>,1|C<4>,4|F<1>,5|C<3>}	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1	113.7720	0.000	1
922	856	856	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:N[6]-3:N[6]-3:	S[6]-3:Ge[6]-3:Si-4:	S[6]-3:Ge[6]-3:Si-4:	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3)	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3)	S[6](C[6a]C[6a]2)(N[6]Ge[6]Si)2{2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3){1|Ge<3>,1|Si<4>,1|S<3>,2|C<3>}	N[6](S[6]C[6a]N[6])(Ge[6]N[6]Cl)(SiC3){1|Ge<3>,1|Si<4>,1|S<3>,2|C<3>}	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1
922	856	863	0:SP3_SP2_SP2	S[6]	N[6]	O	4:3:1:	4:3:3:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:S[6]-3:C-3:	S[6]-3:	S[6](C[6]C[6]HH)(N[6]C[6]C)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO)	O(S[6]C[6]N[6])	S[6](C[6]C[6]HH)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(S[6]C[6]O)(COO){1|C<3>,3|H<1>}	O(S[6]C[6]N[6])	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1
922	856	863	0:SP3_SP2_SP3	S[6]	N[6,6]	O	3:2:1:	4:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[6,6]-4:C[6]-4:S[6]-3:	S[6]-3:	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	O(S[6]N[6,6]O[6])	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	O(S[6]N[6,6]O[6])	105.5390	0.000	1	107.0080	7.682	3	107.0080	7.682	3	107.0080	7.682	3	107.0080	7.682	3	108.5207	7.113	6
922	856	863	0:SP3_SP2_SP3	S[6]	N[6,6]	O	3:2:1:	4:4:3:	3:	N[6,6]-3:O[6]-2:O-1:	C[6,6]-4:C[6]-4:S[6]-3:	S[6]-3:	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	O(S[6]N[6,6]O[6])	S[6](N[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|C<4>,5|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	O(S[6]N[6,6]O[6])	107.7425	3.483	2	107.0080	7.682	3	107.0080	7.682	3	107.0080	7.682	3	107.0080	7.682	3	108.5207	7.113	6
922	856	863	0:SP3_SP2_SP3	S[6]	N[6]	O	3:4:1:	3:3:1:	3:	N[6]-3:C[6]-4:O-1:	C[6,6a]-3:S[6]-3:H-1:	S[6]-3:	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O)	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)	O(S[6]C[6]N[6])	S[6](N[6]C[6,6a]H)(C[6]C[6]CH)(O){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(S[6]C[6]N[6])	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	111.2860	0.000	1	110.0333	3.236	3	108.5207	7.113	6
922	856	863	0:SP3_SP2_SP3	S[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:S[6]-3:S-4:	S[6]-3:	S[6](C[6]C[6]CH)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	O(S[6]C[6]N[6])	S[6](C[6]C[6]CH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	O(S[6]C[6]N[6])	110.8420	0.000	1	110.8420	0.000	1	109.4070	4.118	2	109.4070	4.118	2	110.0333	3.236	3	108.5207	7.113	6
922	856	863	0:SP3_SP2_SP3	S[6]	N[6]	O	4:3:1:	4:3:4:	3:	C[6]-4:N[6]-3:O-1:	C[6]-4:S[6]-3:S-4:	S[6]-3:	S[6](C[6]C[6]HH)(N[6]C[6]S)(O)	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO)	O(S[6]C[6]N[6])	S[6](C[6]C[6]HH)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[6]CH)(S[6]C[6]O)(SC[6a]OO){1|C<3>,3|H<1>}	O(S[6]C[6]N[6])	107.9720	0.000	1	107.9720	0.000	1	109.4070	4.118	2	109.4070	4.118	2	110.0333	3.236	3	108.5207	7.113	6
922	856	941	0:SP3_SP2_SP3	S[6]	N[6]	N	3:3:2:	3:4:4:	3:4:	C[6,6a]-3:N[6]-3:N-2:	S[6]-3:C[6]-4:S-4:	S[6]-3:S-4:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS)	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO)	N(S[6]C[6,6a]N[6])(SC[6a]OO)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](S[6]C[6,6a]N)(C[6]C[6]HN)(SC[6a]OO){2|Cl<1>,2|C<3>}	N(S[6]C[6,6a]N[6])(SC[6a]OO)	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1
922	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:2:1:	3:	3:3:	N[6]-2:N[6]-2:O-1:	S[6]-3:	C[6]-3:S[6]-3:	S[6](N[6]C[6])2(O)	O(S[6]N[6]2)	N[6](C[6]C[6a]N[6])(S[6]N[6]O)	S[6](N[6]C[6])2(O){1|N<3>,2|C<3>}	O(S[6]N[6]2)	N[6](C[6]C[6a]N[6])(S[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	104.8775	0.011	2	104.8775	0.000	2	104.8775	0.000	2	104.8775	0.000	2	107.0705	5.154	6	107.0705	5.154	6
922	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	2:4:1:	3:	3:3:	N[6]-2:C[6]-4:O-1:	S[6]-3:	C[6,6a]-3:S[6]-3:	S[6](N[6]C[6,6a])(C[6]C[6]HH)(O)	O(S[6]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)	S[6](N[6]C[6,6a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,2|C<3>}	O(S[6]C[6]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	111.0390	0.000	1	107.0705	5.154	6	107.0705	5.154	6
922	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:	3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	S[6]-3:	C[6]-3:S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	O(S[6]C[6,6a]N[6])	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	O(S[6]C[6,6a]N[6])	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O){1|H<1>,1|S<2>,3|C<3>}	107.6560	0.000	1	107.6560	0.000	1	107.2097	0.173	3	107.2097	0.173	3	107.0705	5.154	6	107.0705	5.154	6
922	863	914	0:SP3_SP2_SP2	S[6]	O	N[6]	3:2:1:	3:	3:3:	C[6,6a]-3:N[6]-2:O-1:	S[6]-3:	C[6]-3:S[6]-3:	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O)	O(S[6]C[6,6a]N[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]O)	S[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(O){1|H<1>,1|N<3>,3|C<3>}	O(S[6]C[6,6a]N[6])	N[6](C[6]C[6a]N[6])(S[6]C[6,6a]O){1|H<1>,4|C<3>}	106.9865	0.216	2	106.9865	0.047	2	107.2097	0.173	3	107.2097	0.173	3	107.0705	5.154	6	107.0705	5.154	6
922	914	914	0:SP3_SP2_SP2	S[6,6]	N[6]	N[6]	2:2:2:	3:3:	3:2:	N[6,6]-2:N[6]-2:N[6]-2:	S[6,6]-3:C[6]-3:	S[6,6]-3:S[6]-2:	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6])	N[6](S[6,6]N[6,6]N[6])(C[6]C[6a]N[6])	N[6](S[6,6]N[6,6]N[6])(S[6]N[6])	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6]){1|C<3>,2|N<2>}	N[6](S[6,6]N[6,6]N[6])(C[6]C[6a]N[6]){1|S<2>,1|S<3>,2|C<3>}	N[6](S[6,6]N[6,6]N[6])(S[6]N[6]){1|C<3>,1|S<3>}	102.5315	0.093	2	102.5315	0.009	2	102.5315	0.009	2	102.5315	0.009	2	102.5315	0.009	2	102.5315	0.009	2
922	914	914	6:SP3_SP2_SP2	S[6,6]	N[6]	N[6,6]	2:2:2:	3:2:	3:3:	N[6,6]-2:N[6]-2:N[6]-2:	S[6,6]-3:S[6]-2:	S[6,6]-3:S[6,6]-3:	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6])	N[6](S[6,6]N[6,6]N[6])(S[6]N[6])	N[6,6](S[6,6]N[6]2)2	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6]){1|C<3>,2|N<2>}	N[6](S[6,6]N[6,6]N[6])(S[6]N[6]){1|C<3>,1|S<3>}	N[6,6](S[6,6]N[6]2)2{1|C<3>,1|S<2>}	104.8140	0.163	2	104.8140	0.026	2	104.8140	0.026	2	104.8140	0.026	2	107.6478	10.716	4	107.9687	6.194	10
922	914	914	6:SP3_SP2_SP2	S[6,6]	N[6]	N[6,6]	2:2:2:	3:3:	3:3:	N[6,6]-2:N[6]-2:N[6]-2:	S[6,6]-3:C[6]-3:	S[6,6]-3:S[6,6]-3:	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6])	N[6](S[6,6]N[6,6]N[6])(C[6]C[6a]N[6])	N[6,6](S[6,6]N[6]2)2	S[6,6](N[6,6]S[6,6])(N[6]C[6])(N[6]S[6]){1|C<3>,2|N<2>}	N[6](S[6,6]N[6,6]N[6])(C[6]C[6a]N[6]){1|S<2>,1|S<3>,2|C<3>}	N[6,6](S[6,6]N[6]2)2{1|C<3>,1|S<2>}	110.4815	0.023	2	110.4815	0.001	2	110.4815	0.001	2	110.4815	0.001	2	107.6478	10.716	4	107.9687	6.194	10
922	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	2:2:1:	3:3:	3:3:	N[6]-2:N[6]-2:Br-1:	C[6]-3:S[6]-3:	C[6]-3:S[6]-3:	S[6](N[6]C[6])2(Br)	N[6](C[6]C[6]N[6])(S[6]N[6]Br)	N[6](C[6]C[6]N[6])(S[6]N[6]Br)	S[6](N[6]C[6])2(Br){1|N<2>,2|C<3>}	N[6](C[6]C[6]N[6])(S[6]N[6]Br){1|N<3>,2|C<3>}	N[6](C[6]C[6]N[6])(S[6]N[6]Br){1|N<3>,2|C<3>}	109.5290	0.000	1	109.5290	0.000	1	109.5290	0.000	1	107.3170	9.786	2	108.1827	4.583	6	107.9687	6.194	10
922	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	2:2:1:	3:3:	3:3:	N[6]-2:N[6]-2:O-1:	C[6]-3:S[6]-3:	C[6]-3:S[6]-3:	S[6](N[6]C[6])2(O)	N[6](C[6]C[6a]N[6])(S[6]N[6]O)	N[6](C[6]C[6a]N[6])(S[6]N[6]O)	S[6](N[6]C[6])2(O){1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	107.3170	9.786	2	108.1827	4.583	6	107.9687	6.194	10
922	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	2:2:2:	3:2:	3:2:	N[6]-2:N[6]-2:N-2:	S[6]-3:S[6]-2:	S[6]-3:S[6]-2:	S[6](N[6]S[6])2(NP)	N[6](S[6]N[6]N)(S[6]N[6])	N[6](S[6]N[6]N)(S[6]N[6])	S[6](N[6]S[6])2(NP){1|N<2>}	N[6](S[6]N[6]N)(S[6]N[6]){1|S<2>}	N[6](S[6]N[6]N)(S[6]N[6]){1|S<2>}	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	106.0890	0.000	1	108.1827	4.583	6	107.9687	6.194	10
922	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	2:2:4:	3:3:	3:3:	N[6]-2:N[6]-2:C-4:	C[6]-3:S[6]-3:	C[6]-3:S[6]-3:	S[6](N[6]C[6])2(CCHH)	N[6](C[6]C[6a]N[6])(S[6]N[6]C)	N[6](C[6]C[6a]N[6])(S[6]N[6]C)	S[6](N[6]C[6])2(CCHH){1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]C){1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]C){1|N<2>,2|C<3>}	110.0220	0.000	1	110.0850	0.008	2	110.0850	0.008	2	110.0850	0.008	2	108.1827	4.583	6	107.9687	6.194	10
922	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	2:2:4:	3:3:	3:3:	N[6]-2:N[6]-2:C-4:	C[6]-3:S[6]-3:	C[6]-3:S[6]-3:	S[6](N[6]C[6])2(CCHH)	N[6](C[6]C[6a]N[6])(S[6]N[6]C)	N[6](C[6]C[6a]N[6])(S[6]N[6]C)	S[6](N[6]C[6])2(CCHH){1|N<3>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]C){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[6a]N[6])(S[6]N[6]C){1|H<1>,1|N<2>,2|C<3>}	110.1480	0.000	1	110.0850	0.008	2	110.0850	0.008	2	110.0850	0.008	2	108.1827	4.583	6	107.9687	6.194	10
922	914	914	6:SP3_SP2_SP2	S[6]	N[6]	N[6]	4:2:2:	3:3:	3:3:	C[3]-4:N[6]-2:N[6]-2:	C[6]-3:S[6]-3:	C[6]-3:S[6]-3:	S[6](C[3]C[3]2H)(N[6]C[6])2	N[6](C[6]C[6a]N[6])(S[6]C[3]N[6])	N[6](C[6]C[6a]N[6])(S[6]C[3]N[6])	S[6](C[3]C[3]2H)(N[6]C[6])2{1|N<2>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6])(S[6]C[3]N[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6](C[6]C[6a]N[6])(S[6]C[3]N[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.2030	0.000	1	108.1827	4.583	6	107.9687	6.194	10
922	914	924	0:SP3_SP-NON_SP2	S[6]	N[6]	Br	2:2:1:	3:3:	3:	N[6]-2:N[6]-2:Br-1:	C[6]-3:S[6]-3:	S[6]-3:	S[6](N[6]C[6])2(Br)	N[6](C[6]C[6]N[6])(S[6]N[6]Br)	Br(S[6]N[6]2)	S[6](N[6]C[6])2(Br){1|N<2>,2|C<3>}	N[6](C[6]C[6]N[6])(S[6]N[6]Br){1|N<3>,2|C<3>}	Br(S[6]N[6]2)	101.4947	3.474	2	101.4947	12.067	2	101.4947	12.067	2	101.4947	12.067	2	101.4947	12.067	2	101.4947	12.067	2
922	914	941	0:SP3_SP2_SP2	S[6]	N[6]	N	2:2:2:	3:2:	4:3:	N[6]-2:N[6]-2:N-2:	S[6]-3:S[6]-2:	P-4:S[6]-3:	S[6](N[6]S[6])2(NP)	N[6](S[6]N[6]N)(S[6]N[6])	N(PC[6]N[5]N)(S[6]N[6]2)	S[6](N[6]S[6])2(NP){1|N<2>}	N[6](S[6]N[6]N)(S[6]N[6]){1|S<2>}	N(PC[6]N[5]N)(S[6]N[6]2)	102.0060	0.280	2	102.0060	0.078	2	102.0060	0.078	2	102.0060	0.078	2	102.0060	0.078	2	102.0060	0.078	2
922	943	943	6:SP3_SP-NON_SP-NON	S[6x6]	Ga[6x6]	Ga[6x6]	4:4:4:	3:3:2:2:	3:3:2:2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	108.9220	0.663	3	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31
922	943	943	6:SP3_SP-NON_SP-NON	S[6x6]	Ga[6x6]	Ga[6x6]	4:4:4:	3:3:2:2:	3:3:2:2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	108.8062	0.844	6	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31
922	943	943	6:SP3_SP-NON_SP-NON	S[6x6]	Ga[6x6]	Ga[6x6]	4:4:4:	3:3:2:2:	3:3:2:2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	108.9190	0.889	3	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31
922	943	943	6:SP3_SP-NON_SP-NON	S[6x6]	Ga[6x6]	Ga[6x6]	4:4:4:	3:3:2:2:	3:3:2:2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	109.0525	1.069	6	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31
922	943	943	6:SP3_SP-NON_SP-NON	S[6x6]	Ga[6x6]	Ga[6x6]	4:4:4:	3:3:2:2:	3:3:2:2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	108.9958	0.900	13	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31	108.9555	0.722	31
923	643	643	0:SP2_SP2_SP2	As[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a]-3:C[6a]-3:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	96.3522	0.903	4	96.3522	0.816	4	97.2971	2.636	6	97.2971	2.636	6	97.2971	2.636	6	97.2971	2.636	6
923	643	643	0:SP2_SP2_SP2	As[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a]-3:C[6a]-3:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)2	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](As[6a]C[6a,6a]2)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	99.1868	0.130	2	99.1868	0.017	2	97.2971	2.636	6	97.2971	2.636	6	97.2971	2.636	6	97.2971	2.636	6
923	643	643	6:SP2_SP2_SP2	As[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	95.1017	0.000	1	94.6967	0.717	3	94.6967	0.717	3	94.6967	0.717	3	96.4979	2.088	9	96.4979	2.088	9
923	643	643	6:SP2_SP2_SP2	As[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a]-3:C[6a,6a]-3:C[6a]-3:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){2|O<2>,3|H<1>,6|C<3>}	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](As[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	94.4942	1.090	2	94.6967	0.717	3	94.6967	0.717	3	94.6967	0.717	3	96.4979	2.088	9	96.4979	2.088	9
923	643	643	6:SP2_SP2_SP2	As[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	97.2355	0.343	4	97.2355	0.118	4	97.3985	0.135	6	97.3985	0.135	6	96.4979	2.088	9	96.4979	2.088	9
923	643	643	6:SP2_SP2_SP2	As[6a]	C[6a,6a]	C[6a,6a]	3:3:4:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	97.7245	0.052	2	97.7245	0.003	2	97.3985	0.135	6	97.3985	0.135	6	96.4979	2.088	9	96.4979	2.088	9
923	643	992	0:SP2_SP2_SP3	As[6a]	C[6a,6a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	As[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	P(As[6a]C[6a,6a]2)(C[6a]C[6a]2)3	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC[6a]3){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	P(As[6a]C[6a,6a]2)(C[6a]C[6a]2)3	94.0466	1.876	4	94.0466	3.519	4	94.0466	3.519	4	94.0466	3.519	4	94.1434	2.370	12	94.1434	2.370	12
923	643	992	0:SP2_SP2_SP3	As[6a]	C[6a,6a]	P	3:3:4:	3:3:3:	3:4:4:4:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	As[6a]-3:C-4:C-4:C-4:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	P(As[6a]C[6a,6a]2)(CH3)3	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	P(As[6a]C[6a,6a]2)(CH3)3	94.5803	0.890	4	94.5803	0.793	4	94.1918	2.209	8	94.1918	2.209	8	94.1434	2.370	12	94.1434	2.370	12
923	643	992	0:SP2_SP2_SP3	As[6a]	C[6a,6a]	P	3:3:4:	3:3:3:	3:4:4:4:	C[6a,6a]-3:C[6a,6a]-3:P-4:	C[6a,6a]-3:As[6a]-3:C[6a]-3:	As[6a]-3:C-4:C-4:C-4:	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3)	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H)	P(As[6a]C[6a,6a]2)(CHHP)(CH3)2	As[6a](C[6a,6a]C[6a,6a]C[6a])2(PC3){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(As[6a]C[6a,6a]P)(C[6a]C[6a]H){3|C<3>,3|H<1>}	P(As[6a]C[6a,6a]2)(CHHP)(CH3)2	93.8033	1.990	4	93.8033	3.959	4	94.1918	2.209	8	94.1918	2.209	8	94.1434	2.370	12	94.1434	2.370	12
925	790	790	0:SPD6_SP-NON_SP-NON	Ge	Cl	Cl	4:4:1:1:1:1:	6:	6:	As-4:As-4:Cl-1:Cl-1:Cl-1:Cl-1:	Ge-6:	Ge-6:	Ge(AsC3)2(Cl)4	Cl(GeAs2Cl3)	Cl(GeAs2Cl3)	Ge(AsC3)2(Cl)4	Cl(GeAs2Cl3)	Cl(GeAs2Cl3)	120.0000	51.966	3	120.0000	2700.461	3	120.0000	2700.461	3	120.0000	2700.461	3	120.0000	2700.461	3	120.0000	2700.461	3
925	790	890	0:SPD6_SP-NON_SP3	Ge	Cl	As	4:4:1:1:1:1:	6:	6:4:4:4:	As-4:As-4:Cl-1:Cl-1:Cl-1:Cl-1:	Ge-6:	Ge-6:C-4:C-4:C-4:	Ge(AsC3)2(Cl)4	Cl(GeAs2Cl3)	As(GeAsCl4)(CCHH)3	Ge(AsC3)2(Cl)4	Cl(GeAs2Cl3)	As(GeAsCl4)(CCHH)3	90.0000	2.805	4	90.0000	7.868	4	90.0000	7.868	4	90.0000	7.868	4	90.0000	7.868	4	90.0000	7.868	4
925	830	830	0:SPD6_SP-NON_SP-NON	Ge	F	F	1:1:1:1:1:1:	6:	6:	F-1:F-1:F-1:F-1:F-1:F-1:	Ge-6:	Ge-6:	Ge(F)6	F(GeF5)	F(GeF5)	Ge(F)6	F(GeF5)	F(GeF5)	107.9998	40.251	5	107.9998	1620.167	5	107.9998	1620.167	5	107.9998	1620.167	5	112.4999	1735.845	8	112.4999	1735.845	8
925	830	830	0:SPD6_SP-NON_SP-NON	Ge	F	F	3:3:1:1:1:1:	6:	6:	O-3:O-3:F-1:F-1:F-1:F-1:	Ge-6:	Ge-6:	Ge(OCC)2(F)4	F(GeF3OO)	F(GeF3OO)	Ge(OCC)2(F)4	F(GeF3OO)	F(GeF3OO)	120.0000	51.963	3	120.0000	2700.119	3	120.0000	2700.119	3	120.0000	2700.119	3	112.4999	1735.845	8	112.4999	1735.845	8
925	830	871	0:SPD6_SP-NON_SP3	Ge	F	O	3:3:1:1:1:1:	6:	6:4:4:	O-3:O-3:F-1:F-1:F-1:F-1:	Ge-6:	Ge-6:C-4:C-4:	Ge(OCC)2(F)4	F(GeF3OO)	O(GeF4O)(CCHH)2	Ge(OCC)2(F)4	F(GeF3OO)	O(GeF4O)(CCHH)2	90.0000	0.071	2	90.0000	0.005	2	90.0000	0.005	2	90.0000	0.005	2	90.0000	0.005	2	90.0000	0.005	2
925	871	871	0:SPD6_SP3_SP3	Ge	O	O	3:3:1:1:1:1:	6:4:4:	6:4:4:	O-3:O-3:F-1:F-1:F-1:F-1:	Ge-6:C-4:C-4:	Ge-6:C-4:C-4:	Ge(OCC)2(F)4	O(GeF4O)(CCHH)2	O(GeF4O)(CCHH)2	Ge(OCC)2(F)4	O(GeF4O)(CCHH)2	O(GeF4O)(CCHH)2	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
925	890	890	0:SPD6_SP3_SP3	Ge	As	As	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	As-4:As-4:Cl-1:Cl-1:Cl-1:Cl-1:	Ge-6:C-4:C-4:C-4:	Ge-6:C-4:C-4:C-4:	Ge(AsC3)2(Cl)4	As(GeAsCl4)(CCHH)3	As(GeAsCl4)(CCHH)3	Ge(AsC3)2(Cl)4	As(GeAsCl4)(CCHH)3	As(GeAsCl4)(CCHH)3	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
925	893	893	0:SPD6_SP3_SP3	Ge	O	O	2:2:2:2:2:2:	6:3:	6:3:	O-2:O-2:O-2:O-2:O-2:O-2:	Ge-6:N-3:	Ge-6:N-3:	Ge(ON)6	O(GeO5)(NOO)	O(GeO5)(NOO)	Ge(ON)6	O(GeO5)(NOO)	O(GeO5)(NOO)	96.9230	25.543	13	96.9230	652.443	13	96.9230	652.443	13	96.9230	652.443	13	96.9230	652.443	13	96.9230	652.443	13
925	956	956	0:SPD6_SP3_SP3	Ge	N	N	3:3:3:3:3:3:	6:1:1:	6:1:1:	N-3:N-3:N-3:N-3:N-3:N-3:	Ge-6:H-1:H-1:	Ge-6:H-1:H-1:	Ge(NHH)6	N(GeN5)(H)2	N(GeN5)(H)2	Ge(NHH)6	N(GeN5)(H)2	N(GeN5)(H)2	111.1894	43.132	4	111.1894	1860.376	4	111.1894	1860.376	4	111.1894	1860.376	4	111.1894	1860.376	4	111.1894	1860.376	4
926	863	863	0:SPD8_SP2_SP2	Cl[3]	O	O	2:2:1:1:1:1:1:1:	8:	8:	O[3]-2:O[3]-2:O-1:O-1:O-1:O-1:O-1:O-1:	Cl[3]-8:	Cl[3]-8:	Cl[3](O[3]O[3])2(O)6	O(Cl[3]O[3]2O5)	O(Cl[3]O[3]2O5)	Cl[3](O[3]O[3])2(O)6	O(Cl[3]O[3]2O5)	O(Cl[3]O[3]2O5)	92.6577	38.350	15	92.6577	1470.732	15	92.6577	1470.732	15	92.6577	1470.732	15	92.6577	1470.732	15	92.6577	1470.732	15
926	863	962	0:SPD8_SP2_SP3	Cl[3]	O	O[3]	2:2:1:1:1:1:1:1:	8:	8:2:	O[3]-2:O[3]-2:O-1:O-1:O-1:O-1:O-1:O-1:	Cl[3]-8:	Cl[3]-8:O[3]-2:	Cl[3](O[3]O[3])2(O)6	O(Cl[3]O[3]2O5)	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)6	O(Cl[3]O[3]2O5)	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	107.0360	16.844	12	107.0360	283.709	12	107.0360	283.709	12	107.0360	283.709	12	107.0360	283.709	12	107.0360	283.709	12
926	962	962	3:SPD8_SP3_SP3	Cl[3]	O[3]	O[3]	2:2:1:1:1:1:1:1:	8:2:	8:2:	O[3]-2:O[3]-2:O-1:O-1:O-1:O-1:O-1:O-1:	Cl[3]-8:O[3]-2:	Cl[3]-8:O[3]-2:	Cl[3](O[3]O[3])2(O)6	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	Cl[3](O[3]O[3])2(O)6	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	O[3](Cl[3]O[3]O6)(O[3]Cl[3])	39.8570	0.000	1	39.8570	0.000	1	39.8570	0.000	1	39.8570	0.000	1	39.8570	0.000	1	39.8570	0.000	1
927	2	217	0:SP2_SP2_SP2	B[6a]	B[5]	N[6a]	3:3:3:	3:2:2:	3:3:1:	N[6a]-3:N[6a]-3:B[5]-3:	B[6a]-3:O[5]-2:O[5]-2:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2)	B[5](B[6a]N[6a]2)(O[5]C[5])2	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	B[5](B[6a]N[6a]2)(O[5]C[5])2{2|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	121.8940	2.319	2	121.8940	5.379	2	121.8940	5.379	2	121.8940	5.379	2	121.8940	5.379	2	121.8940	5.379	2
927	217	217	0:SP2_SP2_SP2	B[6a,6a]	N[6a]	N[6a]	3:3:3:	3:3:4:	3:3:4:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2{2|C<4>,4|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	126.2655	0.086	2	126.2655	0.007	2	126.2655	0.007	2	125.4518	1.008	5	125.4518	1.008	5	125.4518	1.008	5
927	217	217	0:SP2_SP2_SP2	B[6a,6a]	N[6a]	N[6a]	3:3:3:	3:3:4:	3:3:4:	C[3x6a]-3:N[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C[6a,6a]-3:B[6a,6a]-3:C-4:	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2{6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	124.9093	0.953	3	124.9093	0.908	3	124.9093	0.908	3	125.4518	1.008	5	125.4518	1.008	5	125.4518	1.008	5
927	217	217	6:SP2_SP2_SP2	B[6,6,6a]	N[6,6a]	N[6,6a]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:N[6,6a]-3:B[3x6]-3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2){2|B<3>,2|N<3>,5|C<3>}	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	118.8140	0.000	1	118.8140	0.000	1	118.8140	0.000	1	118.8140	0.000	1	118.8140	0.000	1	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6,6a]	N[6a]	N[6,6a]	3:3:3:	3:3:3:	4:3:3:	N[6,6a]-3:N[6a]-3:N[6]-3:	B[5a,6a]-3:B[6,6a]-3:C[6a]-3:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	123.3580	0.000	1	123.3580	0.000	1	123.3580	0.000	1	123.3580	0.000	1	123.3580	0.000	1	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a,6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:H-1:	B[6a,6a]-3:C[6a,6a]-3:H-1:	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2{2|H<1>,4|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	127.2757	0.154	3	127.2757	0.024	3	127.2757	0.024	3	127.2757	0.024	3	127.0658	0.192	4	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a,6a]	N[6a]	N[6a]	3:3:3:	3:3:4:	3:3:4:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2{2|C<4>,4|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	126.4360	0.000	1	126.4360	0.000	1	126.4360	0.000	1	126.4360	0.000	1	127.0658	0.192	4	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:Br-1:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(Br)	N[6a](B[6a]N[6a]Br)2(H)	N[6a](B[6a]N[6a]Br)2(H)	B[6a](N[6a]B[6a]H)2(Br){2|Br<1>,1|N<3>}	N[6a](B[6a]N[6a]Br)2(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]Br)2(H){1|B<3>,2|H<1>}	119.8330	1.079	2	119.8330	1.164	2	119.8330	1.164	2	120.0364	0.275	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(Cl)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	N[6a](B[6a]N[6a]Cl)2(H)	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]Cl)2(H){1|B<3>,2|H<1>}	120.1760	0.319	4	120.1760	0.101	4	120.1760	0.101	4	120.0364	0.275	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(Cl)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	B[6a](N[6a]C[6a,6a]H)2(Cl){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	119.8850	0.000	1	119.8850	0.000	1	119.8850	0.000	1	120.0364	0.275	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(Cl)	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2)	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	119.9570	0.151	3	119.9570	0.023	3	119.9570	0.023	3	118.9990	0.515	11	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,1|H<1>,5|C<3>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,1|H<1>,5|C<3>}	118.3990	0.298	5	118.6398	0.188	8	118.6398	0.188	8	118.9990	0.515	11	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	119.0410	0.310	3	118.6398	0.188	8	118.6398	0.188	8	118.9990	0.515	11	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:B[6a]-3:C-4:	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	B[6a](N[6a]B[6a]C)2(Cl){3|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	122.8280	0.000	1	122.8280	0.000	1	121.4009	0.517	7	121.4009	0.517	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:B[6a]-3:C-4:	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)2(CH3)	N[6a](B[6a]N[6a]Cl)2(CH3)	B[6a](N[6a]B[6a]C)2(Cl){2|Cl<1>,1|N<3>}	N[6a](B[6a]N[6a]Cl)2(CH3){1|B<3>,2|C<4>}	N[6a](B[6a]N[6a]Cl)2(CH3){1|B<3>,2|C<4>}	121.1630	0.381	6	121.1630	0.146	6	121.4009	0.517	7	121.4009	0.517	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-2:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(CC)	N[6a](B[6a]N[6a]C)2(H)	N[6a](B[6a]N[6a]C)2(H)	B[6a](N[6a]B[6a]H)2(CC){1|N<3>,2|C<2>}	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	117.4237	0.216	3	117.4237	0.047	3	117.4237	0.047	3	117.9469	0.285	9	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:2:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:N-2:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(NN)	N[6a](B[6a]N[6a]N)2(H)	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NN){1|N<3>,2|N<2>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	118.2085	0.437	6	118.2085	0.191	6	118.2085	0.191	6	117.9469	0.285	9	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:2:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:O-2:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(OH)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(OH){1|N<3>,6|C<3>}	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:2:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:O-2:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:B[6a]-3:C-4:	B[6a](N[6a]B[6a]C)2(ON)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	B[6a](N[6a]B[6a]C)2(ON){3|N<3>}	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	124.2030	0.000	1	124.2030	0.000	1	124.2030	0.000	1	124.2030	0.000	1	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:N[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2{1|H<1>,2|C<4>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	116.9430	0.737	2	116.9430	0.543	2	116.9430	0.543	2	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H)	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	115.8070	0.000	1	115.8070	0.000	1	115.8070	0.000	1	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:B[5]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H)	B[6a](N[6a]C[6a,6a]H)2(B[5]O[5]2){2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]B[5])(H){2|H<1>,2|O<2>,3|C<3>}	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	115.1585	0.128	2	115.1585	0.016	2	115.1585	0.016	2	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(CCH)	N[6a](B[6a]N[6a]C)2(H)	N[6a](B[6a]N[6a]C)2(H)	B[6a](N[6a]B[6a]H)2(CCH){1|N<3>,2|C<3>}	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	116.5580	0.545	3	116.5580	0.297	3	116.5580	0.297	3	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CB[5]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	116.0810	0.000	1	116.0810	0.000	1	115.8114	0.140	7	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	115.4345	0.547	2	115.4345	0.299	2	115.8114	0.140	7	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CCC)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CCC){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	116.0620	0.000	1	116.0620	0.000	1	115.8114	0.140	7	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CCH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CCH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	115.6450	0.000	1	115.6450	0.000	1	115.8114	0.140	7	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	116.0115	0.111	2	116.0115	0.012	2	115.8114	0.140	7	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	115.6253	0.080	3	115.6253	0.006	3	115.6253	0.006	3	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(NCC)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	B[6a](N[6a]B[6a]H)2(NCC){2|Cl<1>,1|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	114.4735	0.276	2	114.4735	0.076	2	115.6376	1.253	5	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(NCC)	N[6a](B[6a]N[6a]N)2(H)	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NCC){3|N<3>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	115.8900	0.000	1	115.8900	0.000	1	115.6376	1.253	5	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](N[6a]B[6a]H)2(NSiH)	N[6a](B[6a]N[6a]N)2(H)	N[6a](B[6a]N[6a]N)2(H)	B[6a](N[6a]B[6a]H)2(NSiH){3|N<3>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	116.6755	0.078	2	116.6755	0.006	2	115.6376	1.253	5	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:P-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	116.5940	0.000	1	116.5940	0.000	1	116.2733	0.384	4	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:P-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a]){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	115.8370	0.602	2	115.8370	0.363	2	116.2733	0.384	4	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:P-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	116.8250	0.000	1	116.8250	0.000	1	116.2733	0.384	4	115.9535	0.516	28	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-4:	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	115.2287	0.522	3	115.2287	0.273	3	115.2287	0.273	3	115.2287	0.273	3	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	117.1130	0.707	2	117.1130	0.500	2	117.0700	0.187	11	117.0700	0.187	11	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	117.0604	0.413	9	117.0604	0.170	9	117.0700	0.187	11	117.0700	0.187	11	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:B[6a]-3:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	N[6a](B[6a]N[6a]N)2(CH3)	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	116.9625	0.453	2	116.9625	0.205	2	117.0540	0.159	7	117.0540	0.159	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:B[6a]-3:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	N[6a](B[6a]N[6a]N)2(CH3)	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	116.8270	0.307	2	116.8270	0.094	2	117.0540	0.159	7	117.0540	0.159	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:3:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:B[6a]-3:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3)	N[6a](B[6a]N[6a]N)2(CH3)	B[6a](N[6a]B[6a]C)2(NCC){3|N<3>}	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	117.2663	0.447	3	117.2663	0.199	3	117.0540	0.159	7	117.0540	0.159	7	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	116.4100	0.372	8	116.4100	0.138	8	116.3810	0.103	12	116.4494	0.246	15	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CCHH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CCHH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	116.3860	0.219	3	116.3860	0.048	3	116.3810	0.103	12	116.4494	0.246	15	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	116.1340	0.000	1	116.1340	0.000	1	116.3810	0.103	12	116.4494	0.246	15	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C[5]-4:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	116.4494	0.246	15	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	3:3:4:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:P-4:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2Mo)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2Mo){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	117.2875	0.351	2	117.2875	0.124	2	117.2875	0.124	2	116.4494	0.246	15	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:N[6a]-3:N[6a]-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:H-1:	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2	N[6a](B[6a]N[6a]C[5])2(H)	N[6a](B[6a]N[6a]C[5])2(H)	B[6a](C[5]C[5]2Fe)(N[6a]B[6a]H)2{1|N<3>,2|H<1>,4|C<4>}	N[6a](B[6a]N[6a]C[5])2(H){2|Fe<10>,1|B<3>,2|H<1>,4|C<4>}	N[6a](B[6a]N[6a]C[5])2(H){2|Fe<10>,1|B<3>,2|H<1>,4|C<4>}	116.0340	1.235	2	116.0340	1.524	2	116.0340	1.524	2	115.4783	1.688	3	117.4342	3.668	103	117.8547	7.069	109
927	217	217	6:SP2_SP2_SP2	B[6a]	N[6a]	N[6a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:N[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	114.3670	0.000	1	114.3670	0.000	1	114.3670	0.000	1	115.4783	1.688	3	117.4342	3.668	103	117.8547	7.069	109
927	217	466	0:SP2_SP2_SP3	B[6a]	N[6a]	C[6]	4:3:3:	3:3:1:	4:3:4:3:	C[6]-4:N[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6,6]-4:B[6a]-3:C[6]-4:B[5]-3:	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(B[6a]N[6a]2)(C[6]C[6]HH)(B[5]O[5]2)	B[6a](C[6]C[6,6]B[5]C[6])(N[6a]C[6a,6a]H)2{2|O<2>,3|C<3>,3|C<4>,3|H<1>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[6])(H){1|B<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(B[6a]N[6a]2)(C[6]C[6]HH)(B[5]O[5]2){2|C<3>,5|C<4>,7|H<1>}	122.8120	0.045	2	122.8120	0.002	2	122.8120	0.002	2	122.8120	0.002	2	122.8120	0.002	2	122.8120	0.002	2
927	217	474	0:SP2_SP2_SP3	B[6a]	N[6a]	C[5]	3:3:4:	3:3:1:	3:4:4:1:	N[6a]-3:N[6a]-3:C[5]-4:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[5]-4:C[5]-4:H-1:	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H)	B[6a](N[6a]C[6a,6a]H)2(C[5]C[5]2H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){2|C<4>,3|C<3>,3|H<1>}	C[5](B[6a]N[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	122.1880	1.438	2	122.1880	2.069	2	122.1880	2.069	2	122.1880	2.069	2	122.1880	2.069	2	122.1880	2.069	2
927	217	490	0:SP2_SP2_SP3	B[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:1:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C-3:H-1:H-1:	B[6a](N[6a]C[6a,6a]H)2(CCHH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(CB[5]C)(H)2	B[6a](N[6a]C[6a,6a]H)2(CCHH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(CB[5]C)(H)2	121.9270	0.868	2	121.9270	0.754	2	121.9270	0.754	2	121.9270	0.754	2	121.5179	2.151	26	121.5179	2.151	26
927	217	490	0:SP2_SP2_SP3	B[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:4:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[5]-3:C-4:H-1:	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	121.8830	1.832	4	121.8830	3.356	4	121.7642	1.166	16	121.7827	1.252	18	121.5179	2.151	26	121.5179	2.151	26
927	217	490	0:SP2_SP2_SP3	B[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:4:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[5]-3:C-4:H-1:	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	121.5803	1.100	6	121.5803	1.211	6	121.7642	1.166	16	121.7827	1.252	18	121.5179	2.151	26	121.5179	2.151	26
927	217	490	0:SP2_SP2_SP3	B[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:4:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[5]-3:C-4:H-1:	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	121.8688	0.458	6	121.8688	0.210	6	121.7642	1.166	16	121.7827	1.252	18	121.5179	2.151	26	121.5179	2.151	26
927	217	490	0:SP2_SP2_SP3	B[6a]	N[6a]	C	3:3:4:	3:3:1:	3:3:4:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:N[6]-3:C-4:H-1:	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	B[6a](N[6a]C[6a,6a]H)2(CN[6]CH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(N[6]C[6]2)(CC[6a]HH)(H)	121.9305	1.935	2	121.9305	3.746	2	121.9305	3.746	2	121.7827	1.252	18	121.5179	2.151	26	121.5179	2.151	26
927	217	490	0:SP2_SP2_SP3	B[6a]	N[6a]	C	3:3:4:	3:3:1:	4:3:1:1:	N[6a]-3:N[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:H-1:	C-4:B[6a]-3:H-1:H-1:	B[6a](N[6a]C[6a,6a]H)2(CCHH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	B[6a](N[6a]C[6a,6a]H)2(CCHH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	121.7380	1.736	4	121.7380	3.013	4	121.7380	3.013	4	121.7380	3.013	4	121.5179	2.151	26	121.5179	2.151	26
927	217	490	0:SP2_SP2_SP3	B[6a]	N[6a]	C	3:3:4:	3:3:4:	3:3:3:1:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	118.2855	0.118	2	118.2855	0.014	2	118.2855	0.014	2	118.2855	0.014	2	121.5179	2.151	26	121.5179	2.151	26
927	217	618	6:SP2_SP2_SP2	B[6,6,6a]	N[6,6a]	B[3x6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:N[6,6a]-3:B[3x6]-3:	B[6,6,6a]-3:C[6a,6a]-3:B[6]-3:	B[6,6,6a]-3:N[6,6]-3:N[6,6]-3:	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2)	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N)	B[3x6](B[6,6,6a]N[6,6a]2)(N[6,6]C[6,6a]B[6])2	B[6,6,6a](N[6,6a]C[6a,6a]B[6])2(B[3x6]N[6,6]2){2|B<3>,2|N<3>,5|C<3>}	N[6,6a](B[6,6,6a]N[6,6a]B[3x6])(C[6a,6a]C[3x6a]C[6a])(B[6]B[6]N){1|B<3>,1|H<1>,3|C<3>,3|N<3>}	B[3x6](B[6,6,6a]N[6,6a]2)(N[6,6]C[6,6a]B[6])2{2|B<3>,2|N<3>,5|C<3>}	120.5650	0.250	2	120.5650	0.063	2	120.5650	0.063	2	120.5650	0.063	2	120.5650	0.063	2	120.5650	0.063	2
927	217	622	6:SP2_SP2_SP2	B[6,6a]	N[6,6a]	O[6]	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	B[6,6a]-3:N[6a]-2:C[6]-3:	B[6,6a]-3:C[6]-4:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,2|N<2>,3|C<3>}	120.8230	0.000	1	120.8695	0.004	2	120.8695	0.004	2	120.8695	0.004	2	120.8695	0.004	2	120.8695	0.004	2
927	217	622	6:SP2_SP2_SP2	B[6,6a]	N[6,6a]	O[6]	3:3:2:	3:2:3:	3:4:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	B[6,6a]-3:N[6a]-2:C[6]-3:	B[6,6a]-3:C[6]-4:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	120.9160	0.000	1	120.8695	0.004	2	120.8695	0.004	2	120.8695	0.004	2	120.8695	0.004	2	120.8695	0.004	2
927	217	643	0:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	122.3520	0.156	2	121.9775	0.201	4	121.9775	0.201	4	122.6384	0.595	8	122.9951	1.666	9	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.6030	0.134	2	121.9775	0.201	4	121.9775	0.201	4	122.6384	0.595	8	122.9951	1.666	9	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	123.2993	0.151	4	123.2993	0.023	4	123.2993	0.023	4	122.6384	0.595	8	122.9951	1.666	9	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	125.8490	0.000	1	125.8490	0.000	1	125.8490	0.000	1	125.8490	0.000	1	122.9951	1.666	9	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:H-1:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	124.4235	0.521	2	124.4235	0.272	2	124.4235	0.272	2	124.4235	0.272	2	124.4235	0.272	2	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[6a]-3:C[6]-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.8505	1.415	2	121.8505	2.002	2	121.8505	2.002	2	122.3957	1.217	8	122.3957	1.217	8	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6,6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	122.5775	1.070	6	122.5775	1.145	6	122.5775	1.145	6	122.3957	1.217	8	122.3957	1.217	8	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[3x6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){10|C<3>}	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2{1|B<3>,2|H<1>,4|C<3>}	122.5915	0.618	4	122.5915	0.382	4	122.5915	0.382	4	122.1155	1.346	10	122.1155	1.346	10	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	121.1360	0.279	2	121.1360	0.078	2	121.1360	0.078	2	122.1155	1.346	10	122.1155	1.346	10	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:B[6a]-3:B[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|B<3>,3|C<3>,3|H<1>}	122.8810	0.802	3	122.8810	0.643	3	122.8810	0.643	3	122.1155	1.346	10	122.1155	1.346	10	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]C)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	122.1155	1.346	10	122.1155	1.346	10	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.5950	0.000	1	118.5950	0.000	1	118.1407	0.476	4	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|B<3>,1|S<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.3915	0.426	2	117.9893	0.576	3	118.1407	0.476	4	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	117.1850	0.000	1	117.9893	0.576	3	118.1407	0.476	4	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|O<2>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	115.0245	0.842	12	115.0245	0.709	12	115.8678	2.914	16	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.3978	0.768	4	118.3978	0.591	4	115.8678	2.914	16	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	117.0090	0.578	2	117.0090	0.335	2	117.0090	0.335	2	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H)	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	121.1313	1.652	3	121.1313	2.728	3	121.1313	2.728	3	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	119.4820	0.000	1	119.4820	0.000	1	120.2924	1.235	9	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	119.9000	0.000	1	120.6686	0.818	7	120.2924	1.235	9	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	119.0690	0.000	1	120.6686	0.818	7	120.2924	1.235	9	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	121.1422	0.400	5	120.6686	0.818	7	120.2924	1.235	9	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	118.4700	0.000	1	118.4700	0.000	1	120.2924	1.235	9	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	C[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H)	C[6a](C[6a]C[6a]Si)(B[6a]N[6a]2)(C[6a]C[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Si)(B[6a]N[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]Si)(B[6a]N[6a]2)(C[6a]C[6a]H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(N[6a]C[6a]H){1|Si<4>,1|H<1>,1|O<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]Si)(B[6a]N[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	123.0850	0.000	1	123.0850	0.000	1	123.0850	0.000	1	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H)	C[6a](B[6a]N[6a]2)(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]H)2(C[6a]C[6a]2){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]N[6a])(H){2|H<1>,5|C<3>}	C[6a](B[6a]N[6a]2)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	122.1768	0.171	6	122.1768	0.029	6	122.1768	0.029	6	118.6603	8.152	42	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:N-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	122.4940	0.000	1	122.4940	0.000	1	122.4940	0.000	1	121.1250	2.712	28	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	121.8060	0.000	1	121.8060	0.000	1	121.8060	0.000	1	121.1250	2.712	28	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|H<1>,3|C<3>}	118.2575	0.998	2	118.2575	0.995	2	118.8900	0.902	4	121.1250	2.712	28	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	119.5225	0.330	2	119.5225	0.109	2	118.8900	0.902	4	121.1250	2.712	28	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2{2|B<3>,2|H<1>,3|C<3>}	120.2385	1.054	2	120.2385	1.112	2	121.4382	2.192	22	121.1250	2.712	28	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,7|C<3>}	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2{2|B<3>,2|H<1>,3|C<3>}	122.6135	1.742	2	121.5581	2.198	20	121.4382	2.192	22	121.1250	2.712	28	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2)	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2	B[6a](N[6a]B[6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,8|C<3>}	N[6a](B[6a]C[6a]N[6a])2(C[6a]C[6a]2){1|B<3>,2|H<1>,8|C<3>}	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2{2|B<3>,2|H<1>,3|C<3>}	121.4409	1.460	18	121.5581	2.198	20	121.4382	2.192	22	121.1250	2.712	28	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|C<3>,7|H<1>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	124.7760	0.000	1	124.7760	0.000	1	124.7760	0.000	1	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	127.1690	0.477	2	128.0137	2.254	3	122.5183	12.359	12	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	129.7030	0.000	1	128.0137	2.254	3	122.5183	12.359	12	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	119.7125	1.143	2	119.8802	0.478	4	122.5183	12.359	12	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	120.0480	0.124	2	119.8802	0.478	4	122.5183	12.359	12	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|I<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	120.0880	0.000	1	120.0880	0.000	1	122.5183	12.359	12	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){3|C<3>,4|H<1>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	122.3550	0.704	2	122.3550	0.496	2	122.5183	12.359	12	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	120.9295	0.255	2	120.9295	0.065	2	122.5183	12.359	12	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3)	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(N[6a]C[6a]C)(N[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|O<1>}	N[6a](B[6a]C[6a]N[6a])(C[6a]N[6a]O)(CH3){2|H<1>,3|C<3>}	C[6a](B[6a]N[6a]2)(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	123.6027	2.080	3	123.6027	4.326	3	123.6027	4.326	3	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:Si-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3){2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Si<4>,3|C<3>,3|H<1>}	121.5850	0.000	1	121.5850	0.000	1	121.5850	0.000	1	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	0:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	122.4736	8.747	20	120.2894	8.910	91	120.8538	8.124	120
927	217	643	6:SP2_SP2_SP2	B[6,6a,6a]	N[6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a,6a]-3:	B[6,6a,6a]-3:C[6a]-3:C[6a]-3:	B[6,6a,6a]-3:C[6a]-3:C[6]-3:	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2)	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.4505	0.001	2	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6,6a,6a]	N[6a,6a]	C[6,6a]	3:3:3:	3:3:3:	3:3:4:	C[6,6a]-3:C[6,6a]-3:N[6a,6a]-3:	B[6,6a,6a]-3:C[6a]-3:C[6a]-3:	B[6,6a,6a]-3:C[6a]-3:C[6]-4:	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2)	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	N[6a,6a](B[6,6a,6a]C[6,6a]2)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	118.4740	0.000	1	118.4740	0.000	1	118.4740	0.000	1	118.4740	0.000	1	118.4505	0.001	2	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6,6a]	N[6,6a]	C[6a,6a]	3:3:2:	3:2:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	B[6,6a]-3:N[6a]-2:C[6]-3:	B[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.6370	0.000	1	116.5945	0.004	2	116.5945	0.004	2	116.5945	0.004	2	116.5945	0.004	2	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6,6a]	N[6,6a]	C[6a,6a]	3:3:2:	3:2:3:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	B[6,6a]-3:N[6a]-2:C[6]-3:	B[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O)	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	N[6,6a](B[6,6a]C[6a,6a]O[6])(N[6a]C[6a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	116.5520	0.000	1	116.5945	0.004	2	116.5945	0.004	2	116.5945	0.004	2	116.5945	0.004	2	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[3x6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:B[6a,6a]-3:C[3x6a]-3:	B[6a,6a]-3:C[3x6a]-3:C[6a]-3:	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2)	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,8|C<3>}	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2){9|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,6|C<3>}	117.7918	0.873	4	117.7918	0.763	4	117.7918	0.763	4	118.0604	0.772	8	118.0604	0.772	8	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[3x6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:B[6a,6a]-3:C[3x6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2)	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,8|C<3>}	N[3x6a](B[6a,6a]C[6a,6a]2)2(C[3x6a]C[6a,6a]2){9|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	118.3290	0.920	4	118.3290	0.846	4	118.3290	0.846	4	118.0604	0.772	8	118.0604	0.772	8	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2)	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]2)(C[6a,6a]C[6a,6a]2)2{10|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	115.0270	0.513	2	115.0270	0.264	2	115.0270	0.264	2	118.1253	3.669	14	118.1253	3.669	14	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	116.3715	0.204	2	116.3715	0.042	2	116.3715	0.042	2	118.1253	3.669	14	118.1253	3.669	14	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){3|H<1>,5|C<3>}	118.4870	0.000	1	118.4870	0.000	1	118.4870	0.000	1	118.1253	3.669	14	118.1253	3.669	14	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.9810	0.030	2	119.7785	0.141	4	119.7785	0.141	4	118.1253	3.669	14	118.1253	3.669	14	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(N[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	119.5760	0.509	2	119.7785	0.141	4	119.7785	0.141	4	118.1253	3.669	14	118.1253	3.669	14	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	115.9900	0.000	1	115.9900	0.000	1	115.9900	0.000	1	118.1253	3.669	14	118.1253	3.669	14	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	N[6a,6a]-3:B[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	N[6a,6a](N[6a,6a]B[6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	119.3415	0.162	4	119.3415	0.026	4	119.3415	0.026	4	118.1253	3.669	14	118.1253	3.669	14	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6a,6a](B[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	117.4290	0.000	1	117.4290	0.000	1	117.4290	0.000	1	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:Br-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Br)2	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Br)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Br)2{2|C<3>,4|H<1>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Br<1>,2|C<3>,2|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	113.5085	0.057	2	113.5085	0.003	2	113.5085	0.003	2	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:Cl-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2{2|C<3>,4|H<1>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	113.8937	0.426	4	113.8937	0.182	4	113.8937	0.182	4	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	115.0450	0.540	2	115.0450	0.292	2	115.4273	0.584	3	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,4|H<1>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,3|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	116.1920	0.000	1	116.1920	0.000	1	115.4273	0.584	3	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:I-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(I)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,4|H<1>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{1|I<1>,2|C<3>,3|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	114.1970	0.000	1	114.1970	0.000	1	114.1970	0.000	1	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	116.5470	0.000	1	116.5470	0.000	1	116.7995	0.128	2	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a]2)(C[6a]C[6a]H){4|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	117.0520	0.000	1	117.0520	0.000	1	116.7995	0.128	2	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)2	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]C[6a]2){4|H<1>,6|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	116.9335	0.248	2	116.9335	0.062	2	116.9335	0.062	2	115.1977	2.265	15	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C-3:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	115.0430	0.296	2	115.0430	0.087	2	115.0132	0.061	5	115.0132	0.061	5	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C-3:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,4|H<1>}	N[6a,6a](B[6a,6a]C[6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	114.9933	0.276	3	114.9933	0.076	3	115.0132	0.061	5	115.0132	0.061	5	115.1516	1.688	20	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a]	C[3x6a]	3:3:3:	3:3:4:	3:3:3:	C[3x6a]-3:N[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]N[6a]2)	B[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a,6a]C)2{6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]N[6a]2){2|C<4>,2|H<1>,5|C<3>}	117.4984	0.560	5	117.4984	0.314	5	117.4984	0.314	5	117.4984	0.314	5	117.4984	0.314	5	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a,6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a,6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[6a,6a]2)(H){1|H<1>,6|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,7|C<3>}	116.6010	0.048	2	116.6010	0.002	2	116.6010	0.002	2	116.6010	0.002	2	116.6010	0.002	2	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C[3x6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	N[6a,6a](B[6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){10|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	117.7140	0.222	4	117.7140	0.049	4	117.7140	0.049	4	117.1767	0.723	6	117.1767	0.723	6	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](B[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	N[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](B[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	116.1020	0.038	2	116.1020	0.001	2	116.1020	0.001	2	117.1767	0.723	6	117.1767	0.723	6	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	C[6a](B[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,3|H<1>}	C[6a](B[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	116.6790	0.346	2	116.6790	0.120	2	116.6790	0.120	2	116.6790	0.120	2	115.9623	1.463	6	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:B[6a]-3:B[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H)	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	N[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H){1|B<3>,4|C<3>}	116.0213	1.335	3	116.0213	1.781	3	116.0213	1.781	3	115.6040	1.884	4	115.9623	1.463	6	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(H)	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	N[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	114.3520	0.000	1	114.3520	0.000	1	114.3520	0.000	1	115.6040	1.884	4	115.9623	1.463	6	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:Br-1:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br)	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]Br)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br){1|C<4>,1|H<1>,5|C<3>}	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	121.1107	0.248	4	121.1107	0.061	4	121.1107	0.061	4	120.7648	0.644	5	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	120.7648	0.644	5	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:1:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl){1|H<1>,3|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3){3|C<4>,4|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	119.2000	0.000	1	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	B[6a]-3:N[6a]-2:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH){1|H<1>,3|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,4|H<1>}	115.2430	0.000	1	115.2430	0.000	1	115.2430	0.000	1	115.2430	0.000	1	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	B[6a]-3:N[6a]-2:C-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	115.3360	0.000	1	115.3360	0.000	1	115.3360	0.000	1	115.3360	0.000	1	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:2:	3:2:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	B[6a]-3:N[6a]-2:C-4:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	115.5260	0.000	1	115.5260	0.000	1	115.5260	0.000	1	115.5260	0.000	1	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:H-1:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a,6a](C[3x6a]C[3x6a]2)(B[6a]N[6a]O)(C[6a]C[6a]O)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(B[6a]N[6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	116.1380	1.302	2	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:2:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	116.1380	1.302	2	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[3x6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](B[6a]C[6a]N[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]O)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|O<2>,6|C<3>}	C[6a,6a](B[6a]C[6a]N[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	114.6340	0.648	12	114.6340	0.419	12	114.6340	0.419	12	114.7836	0.363	17	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	115.0555	0.208	4	115.0555	0.043	4	115.1426	0.070	5	114.7836	0.363	17	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:1:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	115.4910	0.000	1	115.4910	0.000	1	115.1426	0.070	5	114.7836	0.363	17	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:2:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:N-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2){3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(NN){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	114.8120	0.000	1	114.8120	0.000	1	114.8120	0.000	1	114.8120	0.000	1	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](B[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	N[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,6|C<3>}	C[6a,6a](B[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	116.5700	0.607	2	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,6|C<3>}	116.0190	0.000	1	116.0190	0.000	1	116.0190	0.000	1	116.5700	0.607	2	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a,6a]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3){3|C<4>,6|C<3>,7|H<1>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	116.1588	5.223	32	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	115.0177	0.282	3	115.0177	0.079	3	115.0177	0.079	3	115.4502	0.801	4	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	116.7480	0.000	1	116.7480	0.000	1	116.7480	0.000	1	115.4502	0.801	4	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:H-1:	C[6a]-3:B[6a]-3:C-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(CC[6a]C)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(CC[6a]C){1|H<1>,2|C<3>}	116.9387	0.519	4	116.9387	0.269	4	116.9387	0.269	4	116.9387	0.269	4	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:N-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.0340	0.000	1	119.0340	0.000	1	119.0340	0.000	1	117.8510	2.644	5	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.2155	0.101	2	116.2155	0.010	2	117.5553	2.943	4	117.8510	2.644	5	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6])	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6]){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.8000	0.000	1	119.8000	0.000	1	117.5553	2.943	4	117.8510	2.644	5	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.9900	0.000	1	117.9900	0.000	1	117.5553	2.943	4	117.8510	2.644	5	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	118.1765	0.190	2	118.1765	0.036	2	118.0330	0.080	3	118.0330	0.080	3	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:2:	3:3:4:	3:3:3:	N[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C-4:	C[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	117.7460	0.000	1	117.7460	0.000	1	118.0330	0.080	3	118.0330	0.080	3	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	115.1090	0.000	1	114.9430	0.226	8	114.9430	0.226	8	114.9430	0.226	8	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|B<3>,1|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	115.8650	0.000	1	114.9430	0.226	8	114.9430	0.226	8	114.9430	0.226	8	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	114.4620	0.000	1	114.9430	0.226	8	114.9430	0.226	8	114.9430	0.226	8	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	114.8216	0.316	5	114.9430	0.226	8	114.9430	0.226	8	114.9430	0.226	8	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[5a]-3:C[6a]-3:	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	114.6505	0.039	2	114.6505	0.002	2	114.6505	0.002	2	114.7960	0.064	3	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(H){1|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	115.0870	0.000	1	115.0870	0.000	1	115.0870	0.000	1	114.7960	0.064	3	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C-4:	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](B[6a]C[6a]N[6a])2(CH3)	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<4>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])2(CH3){7|C<3>}	116.1830	0.911	2	116.1830	0.829	2	116.1830	0.829	2	115.8575	0.496	6	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]C){2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	116.2625	0.013	2	116.2625	0.000	2	116.2625	0.000	2	115.8575	0.496	6	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N[6a]-3:N-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C-4:	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](B[6a]N[6a]N)2(CH3)	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC){1|H<1>,2|C<3>,2|N<3>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	C[6a](B[6a]N[6a]N)2(CH3){3|C<3>}	115.1270	0.211	2	115.1270	0.044	2	115.1270	0.044	2	115.8575	0.496	6	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:Br-1:	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){3|C<3>,4|H<1>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	113.4360	1.017	2	113.4360	1.034	2	113.0620	0.551	4	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:Br-1:	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|Br<1>,1|N<3>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,3|C<3>}	112.6880	0.246	2	112.6880	0.061	2	113.0620	0.551	4	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	116.2260	0.216	2	116.3960	0.110	3	115.4687	0.829	7	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	116.7360	0.000	1	116.3960	0.110	3	115.4687	0.829	7	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	114.8640	0.420	2	114.7732	0.080	4	115.4687	0.829	7	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	114.6825	0.175	2	114.7732	0.080	4	115.4687	0.829	7	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:I-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(I)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CH3){1|I<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(I){1|C<4>,4|C<3>}	113.2000	0.000	1	113.2000	0.000	1	113.2000	0.000	1	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	114.2260	0.000	1	114.2260	0.000	1	114.2260	0.000	1	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:N-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3)	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.8065	0.019	2	116.8065	0.000	2	116.8065	0.000	2	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:Si-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(SiC3){2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:B[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H)	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(B[6a]C[6a]2)(CH3){1|C<4>,3|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	116.1440	0.000	1	116.1440	0.000	1	116.1440	0.000	1	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:3:	3:3:4:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]2)(CC[6a]HH){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){1|C<4>,4|C<3>}	116.1790	0.000	1	116.1790	0.000	1	116.1790	0.000	1	115.0378	2.319	18	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CH3){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	116.4070	3.241	2	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:3:4:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:P-4:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3)	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	C[6a](B[6a]N[6a]P)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.6800	0.000	1	117.6800	0.000	1	117.6800	0.000	1	116.4070	3.241	2	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	3:4:3:	3:3:1:	3:3:1:	N[6a]-3:C[6]-4:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]H)(C[6]C[6]2Cr)(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H)	C[6a](B[6a]N[6a]C[6])(C[6a]C[6a,6a]H)(H)	B[6a](N[6a]C[6a,6a]H)(C[6]C[6]2Cr)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]C[6])(H){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]N[6a]C[6])(C[6a]C[6a,6a]H)(H){1|Cr<9>,1|H<1>,2|C<3>,2|C<4>}	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.7425	2.284	55	116.2750	3.445	152
927	217	643	6:SP2_SP2_SP2	B[6a]	N[6a]	C[6a]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]H)	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H)	C[6a](B[6a]N[6a]C[6])(C[6a]C[6a]H)(H)	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(N[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	N[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	C[6a](B[6a]N[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	114.9080	0.000	1	115.7425	2.284	55	116.2750	3.445	152
927	217	727	6:SP2_SP2_SP2	B[6a,6a]	N[6a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a,6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a,6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	B[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[6a,6a]C[5a,6a]2)	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2)	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	B[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	N[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(B[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	116.8777	0.375	6	116.8777	0.141	6	116.8777	0.141	6	116.8777	0.141	6	116.8777	0.141	6	115.9157	1.041	19
927	217	727	6:SP2_SP2_SP2	B[6a]	N[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	C[5a,6,6a]-3:B[6a]-3:C[6]-4:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	N[6,6a](C[5a,6,6a]C[5a,6,6a]C[5a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	115.6270	0.379	2	115.6270	0.144	2	115.6270	0.144	2	115.8123	0.165	8	115.8123	0.165	8	115.9157	1.041	19
927	217	727	6:SP2_SP2_SP2	B[6a]	N[6,6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	C[6,6a,6a]-3:B[6a]-3:C[6]-4:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	N[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(B[6a]C[5a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	115.8740	0.428	6	115.8740	0.183	6	115.8740	0.183	6	115.8123	0.165	8	115.8123	0.165	8	115.9157	1.041	19
927	217	727	6:SP2_SP2_SP2	B[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:B[6a]-3:	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	114.4453	0.575	4	114.9268	1.591	5	115.9157	1.041	19
927	217	727	6:SP2_SP2_SP2	B[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|B<3>,1|S<2>,2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	113.9425	0.322	2	113.9425	0.104	2	114.4620	0.861	3	114.4453	0.575	4	114.9268	1.591	5	115.9157	1.041	19
927	217	727	6:SP2_SP2_SP2	B[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:1:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|C<4>,1|H<1>,6|C<3>}	115.5010	0.000	1	115.5010	0.000	1	114.4620	0.861	3	114.4453	0.575	4	114.9268	1.591	5	115.9157	1.041	19
927	217	727	6:SP2_SP2_SP2	B[6a]	N[6a]	C[5a,6a]	3:3:3:	3:3:4:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C-4:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H)	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	116.8530	0.000	1	114.9268	1.591	5	115.9157	1.041	19
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:	B[6a](N[6a]B[6a]H)2(Cl)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	Cl(B[6a]N[6a]2)	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	Cl(B[6a]N[6a]2)	120.9180	0.777	4	120.9180	0.604	4	119.9116	1.516	8	119.9397	1.191	10	119.7396	0.917	32	119.7396	0.917	32
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:	B[6a](N[6a]B[6a]H)2(Cl)	N[6a](B[6a]N[6a]Cl)2(H)	Cl(B[6a]N[6a]2)	B[6a](N[6a]B[6a]H)2(Cl){1|Cl<1>,2|N<3>}	N[6a](B[6a]N[6a]Cl)2(H){1|B<3>,2|H<1>}	Cl(B[6a]N[6a]2)	118.9052	0.482	4	118.9052	0.232	4	119.9116	1.516	8	119.9397	1.191	10	119.7396	0.917	32	119.7396	0.917	32
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:	B[6a](N[6a]C[6a,6a]H)2(Cl)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H)	Cl(B[6a]N[6a]2)	B[6a](N[6a]C[6a,6a]H)2(Cl){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]Cl)(H){2|H<1>,3|C<3>}	Cl(B[6a]N[6a]2)	120.0520	0.269	2	120.0520	0.072	2	120.0520	0.072	2	119.9397	1.191	10	119.7396	0.917	32	119.7396	0.917	32
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	Cl(B[6a]C[6a,6a]N[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl){1|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	Cl(B[6a]C[6a,6a]N[6a])	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.8683	0.208	7	119.7396	0.917	32	119.7396	0.917	32
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(Cl)	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2)	Cl(B[6a]N[6a]2)	B[6a](N[6a]B[6a]C[6a])2(Cl){2|Cl<1>,1|N<3>,4|C<3>}	N[6a](B[6a]N[6a]Cl)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	Cl(B[6a]N[6a]2)	120.0110	0.280	6	120.0110	0.078	6	120.0110	0.078	6	119.8683	0.208	7	119.7396	0.917	32	119.7396	0.917	32
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[3x6]-4:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3)	Cl(B[6a]C[6a,6a]N[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl){1|H<1>,3|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]Cl)(C[3x6]C[6,6]3){3|C<4>,4|C<3>,7|H<1>}	Cl(B[6a]C[6a,6a]N[6a])	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	119.5461	1.099	15	119.7396	0.917	32	119.7396	0.917	32
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	Cl(B[6a]N[6a]2)	B[6a](N[6a]B[6a]C)2(Cl){3|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	Cl(B[6a]N[6a]2)	118.5760	0.079	2	118.5760	0.006	2	119.2971	0.182	14	119.5461	1.099	15	119.7396	0.917	32	119.7396	0.917	32
927	217	790	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Cl	3:3:1:	3:3:4:	3:	N[6a]-3:N[6a]-3:Cl-1:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:	B[6a](N[6a]B[6a]C)2(Cl)	N[6a](B[6a]N[6a]Cl)2(CH3)	Cl(B[6a]N[6a]2)	B[6a](N[6a]B[6a]C)2(Cl){2|Cl<1>,1|N<3>}	N[6a](B[6a]N[6a]Cl)2(CH3){1|B<3>,2|C<4>}	Cl(B[6a]N[6a]2)	119.4173	0.323	12	119.4173	0.105	12	119.2971	0.182	14	119.5461	1.099	15	119.7396	0.917	32	119.7396	0.917	32
927	217	818	0:SP2_SP2_SP2	B[6a]	N[6a]	C[5]	3:3:3:	3:3:1:	4:3:3:	C[5]-3:N[6a]-3:N[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	C[5,5,6]-4:C[5]-3:B[6a]-3:	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2)	B[6a](C[5]C[5,5,6]C[5])(N[6a]C[6a,6a]H)2{1|H<1>,2|C<4>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C[5])(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[6a]C[5])(B[6a]N[6a]2){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	121.4618	1.849	4	121.4618	3.418	4	121.4618	3.418	4	121.4618	3.418	4	121.4618	3.418	4	121.4618	3.418	4
927	217	856	0:SP2_SP2_SP3	B[6,6a]	N[6a]	N[6]	3:3:3:	3:3:3:	3:3:3:	N[6,6a]-3:N[6a]-3:N[6]-3:	B[5a,6a]-3:B[6,6a]-3:C[6a]-3:	B[6,6a]-3:N[6]-3:C[6a]-3:	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2)	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	N[6a](B[5a,6a]N[5a,6a]N[5a])(B[6,6a]N[6,6a]N[6])(C[6a]C[6a]2){1|B<4>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1
927	217	856	6:SP2_SP2_SP3	B[6,6a]	N[6,6a]	N[6]	3:3:3:	4:3:3:	3:3:3:	N[6,6a]-3:N[6a]-3:N[6]-3:	B[6,6a]-4:B[6,6a]-3:C[6]-3:	B[6,6a]-3:N[6]-3:C[6a]-3:	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6])	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6])	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2)	B[6,6a](N[6,6a]B[6,6a]C[6])(N[6a]B[5a,6a]C[6a])(N[6]C[6a]N[6]){1|N<2>,4|N<3>,6|C<3>}	N[6,6a](B[6,6a]N[5a,6a]N[6]2)(B[6,6a]N[6a]N[6])(C[6]C[6a]N[6]){1|B<3>,1|N<3>,2|N<2>,7|C<3>}	N[6](B[6,6a]N[6,6a]N[6a])(N[6]C[6a]N[6])(C[6a]C[6a]2){1|B<3>,1|B<4>,2|H<1>,6|C<3>}	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1	114.9880	0.000	1
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:2:1:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	B[6a]-3:N[6a]-2:H-1:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH){1|H<1>,3|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(H){1|H<1>,2|C<3>}	O(B[6a]C[6a,6a]N[6a])(H)	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	116.6820	0.000	1	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:2:3:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	B[6a]-3:N[6a]-2:C-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CNO){1|H<1>,2|C<3>}	O(B[6a]C[6a,6a]N[6a])(H)	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:2:4:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	B[6a]-3:N[6a]-2:C-4:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	N[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])(CH3){1|H<1>,2|C<3>}	O(B[6a]C[6a,6a]N[6a])(H)	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	116.2680	0.000	1	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH){1|O<2>,4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a,6a]O)(H){1|O<2>,4|C<3>}	O(B[6a]C[6a,6a]N[6a])(H)	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-3:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H)	O(B[6a]C[6a]N[6a])(CCO)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	O(B[6a]C[6a]N[6a])(CCO)	123.3940	0.000	1	123.3940	0.000	1	123.3940	0.000	1	116.3008	15.843	5	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:1:	3:3:	N[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H)	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a]){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(H){1|H<1>,4|C<3>}	O(B[6a]C[6a]N[6a])2	114.5275	0.400	4	114.5275	0.160	4	114.5275	0.160	4	116.3008	15.843	5	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:Si-4:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H)	O(B[6a]C[6a,6a]N[6a])(SiC3)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(H){1|H<1>,4|C<3>}	O(B[6a]C[6a,6a]N[6a])(SiC3)	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:3:	3:1:	N[6a]-3:N[6a]-3:O-2:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](N[6a]B[6a]C[6a])2(OH)	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2)	O(B[6a]N[6a]2)(H)	B[6a](N[6a]B[6a]C[6a])2(OH){1|N<3>,6|C<3>}	N[6a](B[6a]C[6a]N[6a])(B[6a]N[6a]O)(C[6a]C[6a]2){1|B<3>,2|H<1>,6|C<3>}	O(B[6a]N[6a]2)(H)	120.8795	2.534	2	120.8795	6.419	2	120.8795	6.419	2	120.8795	6.419	2	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:4:	3:1:	N[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C-4:	B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	O(B[6a]C[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(B[6a]C[6a]N[6a])(H)	116.3880	0.000	1	116.3880	0.000	1	116.3880	0.000	1	116.3880	0.000	1	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:4:	3:3:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:N[6]-3:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6])	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6]){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	116.0188	3.995	5	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:4:	3:3:	N[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C-4:	B[6a]-3:B[6a]-3:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH)	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)(CC[6a]HH){1|H<1>,4|C<3>}	O(B[6a]C[6a]N[6a])2	116.0670	0.711	2	116.0670	0.506	2	116.0670	0.506	2	116.0188	3.995	5	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:4:	3:3:	N[6a]-3:N[6a]-3:O-2:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:N-3:	B[6a](N[6a]B[6a]C)2(ON)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	O(B[6a]N[6a]2)(NOO)	B[6a](N[6a]B[6a]C)2(ON){3|N<3>}	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	O(B[6a]N[6a]2)(NOO)	117.5825	0.431	2	117.5825	0.185	2	117.5825	0.185	2	116.0188	3.995	5	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	O(B[6a]C[6a]N[6a])(CCHH)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	O(B[6a]C[6a]N[6a])(CCHH)	116.2330	0.000	1	116.2330	0.000	1	115.7100	0.547	2	115.5733	0.330	3	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	O(B[6a]C[6a]N[6a])(CH3)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	O(B[6a]C[6a]N[6a])(CH3)	115.1870	0.000	1	115.1870	0.000	1	115.7100	0.547	2	115.5733	0.330	3	117.1662	9.074	21	117.1662	9.074	21
927	217	893	0:SP2_SP2_SP2	B[6a]	N[6a]	O	3:3:2:	3:3:4:	3:4:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:P-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP)	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	O(B[6a]C[6a]N[6a])(PC[6a]3)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	O(B[6a]C[6a]N[6a])(PC[6a]3)	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	115.5733	0.330	3	117.1662	9.074	21	117.1662	9.074	21
927	217	924	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Br	3:3:1:	3:3:1:	3:	N[6a]-3:N[6a]-3:Br-1:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:	B[6a](N[6a]B[6a]H)2(Br)	N[6a](B[6a]N[6a]Br)2(H)	Br(B[6a]N[6a]2)	B[6a](N[6a]B[6a]H)2(Br){2|Br<1>,1|N<3>}	N[6a](B[6a]N[6a]Br)2(H){1|B<3>,2|H<1>}	Br(B[6a]N[6a]2)	120.2033	1.417	3	120.2033	2.009	3	120.2033	2.009	3	120.2033	2.009	3	120.0079	0.742	7	120.0079	0.742	7
927	217	924	0:SP2_SP-NON_SP2	B[6a]	N[6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:Br-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br)	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C)	Br(B[6a]C[6a,6a]N[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br){1|C<4>,1|H<1>,5|C<3>}	N[6a](B[6a]C[6a,6a]Br)(C[6a]C[6a]2)(C[6a]C[6a]C){1|H<1>,2|C<4>,4|C<3>}	Br(B[6a]C[6a,6a]N[6a])	119.8612	0.278	4	119.8612	0.077	4	119.8612	0.077	4	119.8612	0.077	4	120.0079	0.742	7	120.0079	0.742	7
927	217	927	6:SP2_SP2_SP2	B[6a,6a]	N[6a]	B[6a,6a]	3:3:3:	3:3:1:	3:3:3:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:H-1:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2{2|H<1>,4|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,2|N<3>,3|C<3>}	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]H)2{2|H<1>,4|C<3>}	116.3588	0.245	6	116.3588	0.060	6	116.3588	0.060	6	116.3588	0.060	6	116.5982	0.103	12	118.0537	6.883	16
927	217	927	6:SP2_SP2_SP2	B[6a,6a]	N[6a]	B[6a,6a]	3:3:3:	3:3:4:	3:3:3:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C-4:	B[6a,6a]-3:N[6a]-3:N[6a]-3:	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3)	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2{2|C<4>,4|C<3>}	N[6a](B[6a,6a]B[6a,6a]N[6a])(C[6a,6a]C[6a,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	B[6a,6a](B[6a,6a]N[6a]2)(N[6a]C[6a,6a]C)2{2|C<4>,4|C<3>}	116.8375	0.170	6	116.8375	0.029	6	116.8375	0.029	6	116.8375	0.029	6	116.5982	0.103	12	118.0537	6.883	16
927	217	927	6:SP2_SP2_SP2	B[6a]	N[6a]	B[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	N[6a]-3:N[6a]-3:B[6a]-3:	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2)	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]B[6a]N[6a])(H){2|H<1>,2|N<3>,3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(B[6a]N[6a]2){2|H<1>,5|C<3>}	122.4202	0.374	4	122.4202	0.140	4	122.4202	0.140	4	122.4202	0.140	4	122.4202	0.140	4	118.0537	6.883	16
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:C-3:H-1:	B[6a](N[6a]B[6a]H)2(CCH)	N[6a](B[6a]N[6a]C)2(H)	C(B[6a]N[6a]2)(CSiH)(H)	B[6a](N[6a]B[6a]H)2(CCH){1|N<3>,2|C<3>}	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	C(B[6a]N[6a]2)(CSiH)(H)	121.7142	0.903	6	121.7142	0.816	6	121.7142	0.816	6	121.8272	1.148	8	121.9362	1.426	21	121.9362	1.426	21
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C-3:H-1:	B[6a](N[6a]C[6a,6a]H)2(CCH)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(CC[6a]H)(H)	B[6a](N[6a]C[6a,6a]H)2(CCH){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(CC[6a]H)(H)	122.1665	1.910	2	122.1665	3.648	2	122.1665	3.648	2	121.8272	1.148	8	121.9362	1.426	21	121.9362	1.426	21
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:2:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-2:	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	121.9860	1.728	2	121.9860	2.987	2	121.9860	2.987	2	121.9860	2.987	2	121.9362	1.426	21	121.9362	1.426	21
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[5]-3:C-3:	B[6a](N[6a]C[6a,6a]H)2(CB[5]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	B[6a](N[6a]C[6a,6a]H)2(CB[5]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	121.9455	2.512	2	121.9455	6.312	2	121.9455	6.312	2	122.0907	2.362	8	121.9362	1.426	21	121.9362	1.426	21
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:C-3:	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)2(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)2(CC[6a]H)	122.2325	1.811	4	122.2325	3.281	4	122.2325	3.281	4	122.0907	2.362	8	121.9362	1.426	21	121.9362	1.426	21
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C-3:	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	121.9525	0.465	2	121.9525	0.216	2	121.9525	0.216	2	122.0907	2.362	8	121.9362	1.426	21	121.9362	1.426	21
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:1:	3:4:2:	N[6a]-3:N[6a]-3:C-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C-4:C-2:	B[6a](N[6a]C[6a,6a]H)2(CCC)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H)	C(B[6a]N[6a]2)(CCHH)(CC)	B[6a](N[6a]C[6a,6a]H)2(CCC){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]C)(H){2|H<1>,3|C<3>}	C(B[6a]N[6a]2)(CCHH)(CC)	121.9420	0.675	2	121.9420	0.455	2	121.9420	0.455	2	121.9420	0.455	2	121.9362	1.426	21	121.9362	1.426	21
927	217	930	0:SP2_SP2_SP2	B[6a]	N[6a]	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(CC[6a]HH){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	121.4600	0.000	1	121.9362	1.426	21	121.9362	1.426	21
927	217	941	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:2:	3:3:1:	3:2:	N[6a]-3:N[6a]-3:N-2:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:N-2:	B[6a](N[6a]B[6a]H)2(NN)	N[6a](B[6a]N[6a]N)2(H)	N(B[6a]N[6a]2)(NN)	B[6a](N[6a]B[6a]H)2(NN){1|N<3>,2|N<2>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	N(B[6a]N[6a]2)(NN)	120.8951	3.490	12	120.8951	12.180	12	120.8951	12.180	12	120.8951	12.180	12	120.6674	11.839	13	120.6674	11.839	13
927	217	941	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:2:	3:3:4:	3:2:	C[6a]-3:N[6a]-3:N-2:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-2:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	N(B[6a]C[6a]N[6a])(CCr)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	N(B[6a]C[6a]N[6a])(CCr)	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	117.9350	0.000	1	120.6674	11.839	13	120.6674	11.839	13
927	217	945	0:SP2_SP2_SP3	B[6a]	N[6a]	P	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:P-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:B[6a]-3:	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	P(B[6a]N[6a]2)3	B[6a](N[6a]C[6a,6a]H)2(PB[6a]2){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	P(B[6a]N[6a]2)3	121.6172	3.072	6	121.6172	9.436	6	121.6172	9.436	6	121.6264	7.775	12	121.6264	7.775	12	121.6264	7.775	12
927	217	945	0:SP2_SP2_SP3	B[6a]	N[6a]	P	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:P-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	P(B[6a]N[6a]2)2(C[6a]C[6a]2)	B[6a](N[6a]C[6a,6a]H)2(PB[6a]C[6a]){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	P(B[6a]N[6a]2)2(C[6a]C[6a]2)	121.6737	2.754	4	121.6737	7.587	4	121.6737	7.587	4	121.6264	7.775	12	121.6264	7.775	12	121.6264	7.775	12
927	217	945	0:SP2_SP2_SP3	B[6a]	N[6a]	P	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:N[6a]-3:P-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H)	P(B[6a]N[6a]2)(C[6a]C[6a]2)2	B[6a](N[6a]C[6a,6a]H)2(PC[6a]2){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]N[6a]P)(H){2|H<1>,3|C<3>}	P(B[6a]N[6a]2)(C[6a]C[6a]2)2	121.5595	3.945	2	121.5595	15.563	2	121.5595	15.563	2	121.6264	7.775	12	121.6264	7.775	12	121.6264	7.775	12
927	217	951	0:SP2_SP-NON_SP2	B[6a]	N[6a,6a]	H	3:3:1:	3:3:3:	3:	N[6a,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H)	H(B[6a]N[6a,6a]C[6a])	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[6a,6a](C[6a,6a]C[6a]2)(B[6a]C[6a]H)(C[6a]C[6a]H){1|F<1>,2|C<3>,3|H<1>}	H(B[6a]N[6a,6a]C[6a])	114.4050	0.675	2	114.4050	0.455	2	114.4050	0.455	2	114.4050	0.455	2	114.4050	0.455	2	120.0655	4.064	20
927	217	951	0:SP2_SP-NON_SP2	B[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	H(B[6a]N[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,1|H<1>,5|C<3>}	H(B[6a]N[6a]2)	120.8112	0.131	12	120.6944	0.327	18	120.6944	0.327	18	120.6944	0.327	18	120.6944	0.327	18	120.0655	4.064	20
927	217	951	0:SP2_SP-NON_SP2	B[6a]	N[6a]	H	3:3:1:	3:3:3:	3:	N[6a]-3:N[6a]-3:H-1:	B[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](N[6a]B[6a]C[6a])2(H)	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2)	H(B[6a]N[6a]2)	B[6a](N[6a]B[6a]C[6a])2(H){1|N<3>,2|H<1>,4|C<3>}	N[6a](B[6a]N[6a]H)2(C[6a]C[6a]2){1|B<3>,2|H<1>,4|C<3>}	H(B[6a]N[6a]2)	120.4608	0.988	6	120.6944	0.327	18	120.6944	0.327	18	120.6944	0.327	18	120.6944	0.327	18	120.0655	4.064	20
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:1:	3:4:1:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:Si-4:H-1:	B[6a](N[6a]B[6a]H)2(NSiH)	N[6a](B[6a]N[6a]N)2(H)	N(B[6a]N[6a]2)(SiN3)(H)	B[6a](N[6a]B[6a]H)2(NSiH){3|N<3>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	N(B[6a]N[6a]2)(SiN3)(H)	121.6577	0.823	4	121.6577	0.678	4	121.6577	0.678	4	121.6577	0.678	4	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:1:	3:4:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:C-4:C-4:	B[6a](N[6a]B[6a]H)2(NCC)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H)	N(B[6a]N[6a]2)(CH3)2	B[6a](N[6a]B[6a]H)2(NCC){2|Cl<1>,1|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(H){1|B<3>,2|H<1>}	N(B[6a]N[6a]2)(CH3)2	122.7620	0.394	4	122.7620	0.155	4	122.5258	0.262	6	122.5258	0.262	6	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:1:	3:4:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:C-4:C-4:	B[6a](N[6a]B[6a]H)2(NCC)	N[6a](B[6a]N[6a]N)2(H)	N(B[6a]N[6a]2)(CH3)2	B[6a](N[6a]B[6a]H)2(NCC){3|N<3>}	N[6a](B[6a]N[6a]N)2(H){1|B<3>,2|H<1>}	N(B[6a]N[6a]2)(CH3)2	122.0535	0.418	2	122.0535	0.175	2	122.5258	0.262	6	122.5258	0.262	6	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:N[6a]-3:N-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C-4:C-4:	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H)	N(B[6a]C[6a]N[6a])(CH3)2	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC){1|H<1>,2|C<3>,2|N<3>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]2)(C[6a]N[6a]H){1|B<3>,3|C<3>,3|C<4>}	N(B[6a]C[6a]N[6a])(CH3)2	117.0610	0.700	2	117.0610	0.490	2	117.0610	0.490	2	117.0610	0.490	2	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2)	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3)	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	122.6815	0.110	2	122.6815	0.012	2	122.6815	0.012	2	122.6815	0.012	2	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:C-4:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3)	N(B[6a]N[6a]2)(CH3)2	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	N[6a](B[6a]N[6a]Cl)(B[6a]N[6a]N)(CH3){1|B<3>,2|C<4>}	N(B[6a]N[6a]2)(CH3)2	121.2425	0.100	2	121.2425	0.010	2	121.4656	0.199	14	121.4656	0.199	14	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:C-4:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3)	N(B[6a]N[6a]2)(CH3)2	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	N[6a](B[6a]N[6a]N)(B[6a]N[6a]O)(CH3){1|B<3>,2|C<4>}	N(B[6a]N[6a]2)(CH3)2	121.0145	0.435	2	121.0145	0.189	2	121.4656	0.199	14	121.4656	0.199	14	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:C-4:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3)	N(B[6a]N[6a]2)(CH3)2	B[6a](N[6a]B[6a]C)2(NCC){1|Cl<1>,2|N<3>}	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	N(B[6a]N[6a]2)(CH3)2	121.7605	0.366	2	121.6005	0.189	10	121.4656	0.199	14	121.4656	0.199	14	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:C-4:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3)	N(B[6a]N[6a]2)(CH3)2	B[6a](N[6a]B[6a]C)2(NCC){1|O<2>,2|N<3>}	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	N(B[6a]N[6a]2)(CH3)2	122.1550	0.126	2	121.6005	0.189	10	121.4656	0.199	14	121.4656	0.199	14	121.4925	2.039	28	121.4925	2.039	28
927	217	956	0:SP2_SP2_SP2	B[6a]	N[6a]	N	3:3:3:	3:3:4:	3:4:4:	N[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:C-4:C-4:	B[6a](N[6a]B[6a]C)2(NCC)	N[6a](B[6a]N[6a]N)2(CH3)	N(B[6a]N[6a]2)(CH3)2	B[6a](N[6a]B[6a]C)2(NCC){3|N<3>}	N[6a](B[6a]N[6a]N)2(CH3){1|B<3>,2|C<4>}	N(B[6a]N[6a]2)(CH3)2	121.3623	0.330	6	121.6005	0.189	10	121.4656	0.199	14	121.4656	0.199	14	121.4925	2.039	28	121.4925	2.039	28
927	217	983	0:SP2_SP1_SP2	B[6a]	N[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-2:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(B[6a]C[6a]N[6a])(CB[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(CB[6a])	118.7765	0.542	2	118.7765	0.294	2	118.0607	1.684	3	120.2118	3.077	9	120.2118	3.077	9	120.2118	3.077	9
927	217	983	0:SP2_SP1_SP2	B[6a]	N[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-2:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H)	C(B[6a]C[6a]N[6a])(CC[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(CC[6a])	116.6290	0.000	1	116.6290	0.000	1	118.0607	1.684	3	120.2118	3.077	9	120.2118	3.077	9	120.2118	3.077	9
927	217	983	0:SP2_SP1_SP2	B[6a]	N[6a]	C	3:3:2:	3:3:1:	3:2:	N[6a]-3:N[6a]-3:C-2:	B[6a]-3:B[6a]-3:H-1:	B[6a]-3:C-2:	B[6a](N[6a]B[6a]H)2(CC)	N[6a](B[6a]N[6a]C)2(H)	C(B[6a]N[6a]2)(CH)	B[6a](N[6a]B[6a]H)2(CC){1|N<3>,2|C<2>}	N[6a](B[6a]N[6a]C)2(H){1|B<3>,2|H<1>}	C(B[6a]N[6a]2)(CH)	121.2873	0.292	6	121.2873	0.085	6	121.2873	0.085	6	120.2118	3.077	9	120.2118	3.077	9	120.2118	3.077	9
927	217	992	0:SP2_SP2_SP3	B[6a]	N[6a]	P	3:3:4:	3:3:4:	3:4:4:4:	C[6a]-3:N[6a]-3:P-4:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-4:C-4:C-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3)	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	P(B[6a]C[6a]N[6a])(CH3)3	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3){1|C<3>,2|H<1>}	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	P(B[6a]C[6a]N[6a])(CH3)3	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1	122.9380	0.000	1
927	371	643	0:SP2_SP2_SP2	B[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:B[6,6a]-3:	B[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2)	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2){1|H<1>,6|C<3>}	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1	124.6240	0.000	1
927	371	643	6:SP2_SP2_SP2	B[6,6a]	N[6a]	C[6,6a]	3:3:2:	3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6a,6a]-3:B[6,6a]-3:	B[6,6a]-3:C[6a]-3:C[6]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2)	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6,6a]C[6,6a]2){1|H<1>,6|C<3>}	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){7|C<3>}	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1	116.4710	0.000	1
927	466	933	0:SP2_SP2_SP3	B[6a]	C[6]	O[6a]	4:2:2:	4:3:4:1:	3:3:	C[6]-4:O[6a]-2:O[6a]-2:	C[6]-4:B[6a]-3:C[6]-4:H-1:	B[6a]-3:B[6a]-3:	B[6a](C[6]C[6]2H)(O[6a]B[6a])2	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H)	O[6a](B[6a]O[6a]C[6])2	B[6a](C[6]C[6]2H)(O[6a]B[6a])2{1|O<2>,2|H<1>,6|C<4>}	C[6](C[6]C[3,6]CH)(B[6a]O[6a]2)(C[6]C[6]CH)(H){2|B<3>,2|H<1>,3|C<4>}	O[6a](B[6a]O[6a]C[6])2{1|B<3>,2|H<1>,4|C<4>}	120.8583	1.516	6	120.8583	2.300	6	120.8583	2.300	6	120.8583	2.300	6	120.8583	2.300	6	120.8583	2.300	6
927	490	643	0:SP2_SP2_SP3	B[6a]	C	C[6a]	3:3:4:	3:1:1:1:	3:3:1:	N[5a,6a]-3:C[6a]-3:C-4:	B[6a]-3:H-1:H-1:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(CH3)	C(B[6a]N[5a,6a]C[6a])(H)3	C[6a](B[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	B[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(B[6a]N[5a,6a]C[6a])(H)3	C[6a](B[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.9550	0.000	1	121.9550	0.000	1	121.9550	0.000	1	121.9550	0.000	1	124.6612	2.225	13	124.6612	2.225	13
927	490	643	0:SP2_SP2_SP3	B[6a]	C	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H)	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CC[6a]2H){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2(H)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	126.5360	0.154	2	126.5360	0.024	2	126.5360	0.024	2	126.5360	0.024	2	124.6612	2.225	13	124.6612	2.225	13
927	490	643	0:SP2_SP2_SP3	B[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-4:C-4:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)2(CC3)	C(B[6a]C[6a]2)(CH3)3	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H)	B[6a](C[6a]C[6a]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(B[6a]C[6a]2)(CH3)3	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	125.6933	0.723	4	125.5158	0.549	5	125.5158	0.549	5	124.5568	1.358	10	124.6612	2.225	13	124.6612	2.225	13
927	490	643	0:SP2_SP2_SP3	B[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-4:C-4:C-4:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)2(CC3)	C(B[6a]C[6a]2)(CH3)3	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H)	B[6a](C[6a]C[6a]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C(B[6a]C[6a]2)(CH3)3	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	124.8060	0.000	1	125.5158	0.549	5	125.5158	0.549	5	124.5568	1.358	10	124.6612	2.225	13	124.6612	2.225	13
927	490	643	0:SP2_SP2_SP3	B[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-4:C-4:C-4:	C[6a]-3:B[6a]-3:H-1:	B[6a](C[6a]C[6a]H)2(CC3)	C(B[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]N[6a])(B[6a]C[6a]C)(H)	B[6a](C[6a]C[6a]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C(B[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]N[6a])(B[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	123.5545	0.512	4	123.5545	0.263	4	123.5978	0.206	5	124.5568	1.358	10	124.6612	2.225	13	124.6612	2.225	13
927	490	643	0:SP2_SP2_SP3	B[6a]	C	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	B[6a]-3:C-4:C-4:C-4:	C[6a]-3:B[6a]-3:H-1:	B[6a](C[6a]C[6a]H)2(CC3)	C(B[6a]C[6a]2)(CH3)3	C[6a](C[6a]N[6a]C[5])(B[6a]C[6a]C)(H)	B[6a](C[6a]C[6a]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C(B[6a]C[6a]2)(CH3)3	C[6a](C[6a]N[6a]C[5])(B[6a]C[6a]C)(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	123.7710	0.000	1	123.7710	0.000	1	123.5978	0.206	5	124.5568	1.358	10	124.6612	2.225	13	124.6612	2.225	13
927	490	813	0:SP2_SP2_SP3	B[6a]	C	N[5a,6a]	3:3:4:	3:1:1:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:C-4:	B[6a]-3:H-1:H-1:H-1:	C[5a,6a]-3:B[5a]-4:B[6a]-3:	B[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(CH3)	C(B[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C)	B[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C(B[6a]N[5a,6a]C[6a])(H)3	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C){2|H<1>,7|C<3>}	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1	122.5300	0.000	1
927	490	933	0:SP2_SP2_SP3	B[6a]	C	O[6a]	2:2:4:	3:3:3:3:	3:3:	O[6a]-2:O[6a]-2:C-4:	B[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(CC[6a]3)	C(B[6a]O[6a]2)(C[6a]C[6a]2)3	O[6a](B[6a]O[6a]C)2	B[6a](O[6a]B[6a])2(CC[6a]3){1|O<2>,2|C<4>}	C(B[6a]O[6a]2)(C[6a]C[6a]2)3	O[6a](B[6a]O[6a]C)2{1|B<3>}	120.7791	1.765	8	120.7791	3.116	8	120.7791	3.116	8	120.7791	3.116	8	120.7791	3.116	8	120.7791	3.116	8
927	622	643	0:SP2_SP2_SP2	B[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	B[6,6a]-3:C[6]-4:	B[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.5260	0.000	1	122.5305	0.000	2	122.5305	0.000	2	122.5305	0.000	2	122.5305	0.000	2	122.5305	0.000	2
927	622	643	0:SP2_SP2_SP2	B[6,6a]	O[6]	C[6a,6a]	3:3:2:	3:4:	3:3:3:	C[6a,6a]-3:N[6,6a]-3:O[6]-2:	B[6,6a]-3:C[6]-4:	B[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6])	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH)	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(N[6,6a]N[6a]C[6])(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O[6](B[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]HH){1|H<1>,2|N<2>,3|C<3>}	C[6a,6a](B[6,6a]N[6,6a]O[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	122.5350	0.000	1	122.5305	0.000	2	122.5305	0.000	2	122.5305	0.000	2	122.5305	0.000	2	122.5305	0.000	2
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,2|O<2>,6|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	131.4257	0.690	3	131.4257	0.477	3	131.4257	0.477	3	129.4703	36.774	10	129.4703	36.774	10	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5,6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5,6a,6a]C[5,6a,6a]2)	C[6a,6a](B[6a,6a]N[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a,6a](B[6a,6a]N[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](B[6a,6a]N[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	139.0570	0.109	2	139.0570	0.012	2	139.0570	0.012	2	129.4703	36.774	10	129.4703	36.774	10	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	127.1710	0.000	1	127.1710	0.000	1	127.1710	0.000	1	129.4703	36.774	10	129.4703	36.774	10	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[3x6a]-3:C[6a,6a]-3:C[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[3x6a]-3:C[6a]-3:	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	B[6a,6a](N[3x6a]B[6a,6a]C[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[3x6a])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,6|C<3>}	123.7853	0.225	4	123.7853	0.051	4	123.7853	0.051	4	129.4703	36.774	10	129.4703	36.774	10	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a,6a]H){3|H<1>,5|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a,6a]H)(H){5|C<3>}	124.0830	0.000	1	124.0830	0.000	1	124.0830	0.000	1	124.0830	0.000	1	124.0830	0.000	1	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:Br-1:	B[6a,6a]-3:C[6a]-3:Br-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Br)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Br)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Br)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Br)2{2|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Br){1|Br<1>,1|H<1>,3|C<3>}	132.9820	0.000	1	132.9820	0.000	1	132.9820	0.000	1	129.9245	9.348	6	129.9308	5.856	9	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:Cl-1:	B[6a,6a]-3:C[6a]-3:Cl-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2{2|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	132.2100	0.240	2	132.2100	0.058	2	132.2100	0.058	2	129.9245	9.348	6	129.9308	5.856	9	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	126.1330	0.000	1	126.1330	0.000	1	126.2670	0.036	2	129.9245	9.348	6	129.9308	5.856	9	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	126.4010	0.000	1	126.4010	0.000	1	126.2670	0.036	2	129.9245	9.348	6	129.9308	5.856	9	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a]-3:C[6a]-3:I-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(I)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,3|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(I){2|H<1>,3|C<3>}	129.6110	0.000	1	129.6110	0.000	1	129.6110	0.000	1	129.9245	9.348	6	129.9308	5.856	9	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CC[6a]O){2|H<1>,3|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	129.8525	0.243	2	129.8525	0.059	2	129.8525	0.059	2	129.8525	0.059	2	129.9308	5.856	9	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C-3:	B[6a,6a]-3:C[6a]-3:C-3:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	130.1250	0.000	1	130.1250	0.000	1	130.1250	0.000	1	130.1250	0.000	1	129.9308	5.856	9	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a])	C[6a,6a](B[6a]C[6a]O[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]O[6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[6a,6a](B[6a]C[6a]O[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](B[6a]C[6a,6a]O[6a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	124.2430	0.000	1	124.2430	0.000	1	122.3285	4.947	22	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	122.9855	4.777	2	122.5916	4.240	13	122.3285	4.947	22	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	122.6750	2.182	6	122.5916	4.240	13	122.3285	4.947	22	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	122.3340	0.944	5	122.5916	4.240	13	122.3285	4.947	22	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]H)	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	124.2305	1.223	2	124.2305	1.495	2	122.3285	4.947	22	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	121.9330	0.932	2	121.9330	0.869	2	122.3285	4.947	22	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]2)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	120.2417	2.653	4	120.2417	7.041	4	122.3285	4.947	22	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)2	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,2|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	120.9530	0.000	1	120.9530	0.000	1	120.9530	0.000	1	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:B[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]2)	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	120.6250	0.000	1	120.6250	0.000	1	120.6250	0.000	1	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a,6a](B[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]2){1|C<4>,3|H<1>,7|C<3>}	C[6a,6a](B[6a]C[6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	120.2870	0.000	1	120.2870	0.000	1	120.2870	0.000	1	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](B[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|C<4>,2|H<1>,7|C<3>}	C[6a,6a](B[6a]N[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	122.7540	0.328	2	122.7540	0.108	2	122.7540	0.108	2	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2){1|H<1>,2|C<4>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]C)2{1|B<3>,2|H<1>,4|C<3>}	119.6235	0.355	4	119.6235	0.126	4	119.6235	0.126	4	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:C[3x6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a]N[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]O)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a]N[6a])(C[3x6a]C[3x6a]2)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	130.3003	0.899	12	130.3003	0.809	12	130.3003	0.809	12	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(C[6a]C[6a]2){3|C<4>,3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	118.8140	0.000	1	118.8140	0.000	1	124.6645	9.154	8	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|H<1>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	122.1480	0.000	1	122.1480	0.000	1	124.6645	9.154	8	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	126.9253	0.699	4	126.9253	0.489	4	124.6645	9.154	8	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	125.1570	0.000	1	125.1570	0.000	1	124.6645	9.154	8	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:N[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]N)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]N[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]N[6a])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	123.4960	0.000	1	123.4960	0.000	1	124.6645	9.154	8	124.2748	16.580	51	124.3117	16.326	52	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]2)(C[6a]C[6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]2)(C[6a]C[6a]H){1|B<3>,1|H<1>,7|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	121.8465	0.334	2	121.8465	0.112	2	121.8465	0.112	2	121.8465	0.112	2	121.8465	0.112	2	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)2(O[6a]C[6a])	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]2)2	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]H)2	B[6a](C[6a]C[6a]2)2(O[6a]C[6a]){2|H<1>,7|C<3>}	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	130.5170	0.542	2	130.5170	0.293	2	130.5170	0.293	2	130.5170	0.293	2	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:N[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H){3|C<4>,4|C<3>}	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	116.4225	1.432	2	116.4225	2.050	2	116.4225	2.050	2	122.4908	14.819	16	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<4>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	116.2885	0.906	2	120.8530	28.224	4	120.8530	28.224	4	122.4908	14.819	16	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	125.4175	0.716	2	120.8530	28.224	4	120.8530	28.224	4	122.4908	14.819	16	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(H)	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]C)2	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a,6a]C[6a])(H){1|H<1>,6|C<3>}	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	125.7740	0.000	1	125.7740	0.000	1	125.7740	0.000	1	122.4908	14.819	16	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|C<3>,4|H<1>}	125.4040	0.000	1	125.4040	0.000	1	124.2023	1.756	9	122.4908	14.819	16	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	124.3989	0.974	7	124.3989	0.948	7	124.2023	1.756	9	122.4908	14.819	16	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a]Si)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Si<4>,3|C<3>,3|H<1>}	121.6250	0.000	1	121.6250	0.000	1	124.2023	1.756	9	122.4908	14.819	16	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:Br-1:	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|N<3>,3|C<3>}	126.3805	0.012	2	126.3805	0.000	2	125.2878	1.629	4	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:Br-1:	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br)	B[6a](C[6a]C[6a]Br)(C[6a]C[6a]2)(N[6a]C[6a]C){3|C<3>,4|H<1>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(Br){1|C<4>,1|H<1>,3|C<3>}	124.1950	0.334	2	124.1950	0.111	2	125.2878	1.629	4	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){1|H<1>,3|C<3>,3|C<4>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){2|C<4>,3|C<3>}	113.5410	0.000	1	121.3557	45.803	3	121.3557	45.803	3	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	125.2630	0.049	2	121.3557	45.803	3	121.3557	45.803	3	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:I-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(I)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]I)(N[6a]C[6a]C){2|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,1|I<1>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)(I){1|C<4>,4|C<3>}	126.7110	0.000	1	126.7110	0.000	1	126.7110	0.000	1	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H)	B[6a](N[6a,6a]C[3x6a]B[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a]H)2{1|B<3>,3|C<3>,3|H<1>}	C[6a](B[6a]N[6a,6a]C[6a])(C[6a]C[6a,6a]C)(H){1|B<3>,4|C<3>}	120.5347	1.142	3	120.5347	1.303	3	120.5347	1.303	3	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H)	B[6a](N[6a]C[5,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|C<4>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{1|C<4>,3|C<3>,3|H<1>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[5,6a]H)(H){1|C<4>,4|C<3>}	124.2790	0.000	1	124.2790	0.000	1	123.5465	1.073	2	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)(H){1|C<4>,4|C<3>}	122.8140	0.000	1	122.8140	0.000	1	123.5465	1.073	2	123.1251	13.468	13	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,2|H<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	124.0670	0.000	1	124.0670	0.000	1	124.0670	0.000	1	127.6335	4.923	6	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:N-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)2	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H){3|C<4>,4|C<3>}	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,2|N<3>,3|H<1>}	129.3205	1.859	2	129.3205	3.456	2	129.3205	3.456	2	127.6335	4.923	6	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[5a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2	B[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]2)(N[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){4|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)2{3|H<1>,4|C<3>}	128.3350	0.546	2	128.3350	0.298	2	128.3350	0.298	2	127.6335	4.923	6	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]2)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]2)2{1|Cl<1>,2|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a,6a]Cl)(C[6a]C[6a]2){3|H<1>,6|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	126.4230	0.000	1	126.4230	0.000	1	126.4230	0.000	1	127.6335	4.923	6	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]C)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	124.4098	1.534	5	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:C-4:	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](B[6a]C[6a]N[6a])2(CH3)	B[6a](C[6a]B[6a]C)(C[6a]C[6a]2)(N[6a]C[6a]2){1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|B<3>,1|C<4>,2|H<1>,3|C<3>}	C[6a](B[6a]C[6a]N[6a])2(CH3){7|C<3>}	125.5395	0.101	2	125.5395	0.010	2	125.5395	0.010	2	124.4098	1.534	5	124.0324	15.276	42	125.0468	20.347	116
927	643	643	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6a]-3:N[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2)	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(N[6a]C[6a]2){2|C<4>,2|H<1>,5|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[6a](B[6a]C[6a]N[6a])(C[6a]C[6a]C)(CH3){1|C<4>,4|C<3>}	124.1975	0.340	2	124.1975	0.116	2	124.1975	0.116	2	124.4098	1.534	5	124.0324	15.276	42	125.0468	20.347	116
927	643	643	6:SP2_SP2_SP2	B[3x6a]	C[3x6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[3x6a]-3:	B[3x6a](C[3x6a]C[6a,6a]2)3	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2)	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2)	B[3x6a](C[3x6a]C[6a,6a]2)3{1|N<3>,2|O<2>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2){2|H<1>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2){2|H<1>,6|C<3>}	121.0240	0.000	1	121.0240	0.000	1	120.2028	0.532	4	120.2028	0.532	4	120.2028	0.532	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[3x6a]	C[3x6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[3x6a]-3:	B[3x6a](C[3x6a]C[6a,6a]2)3	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2)	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[3x6a]C[3x6a]2)	B[3x6a](C[3x6a]C[6a,6a]2)3{1|N<3>,2|O<2>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]N[6a])(C[6a,6a]C[6a]O[6a])(B[3x6a]C[3x6a]2){2|H<1>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[3x6a]C[3x6a]2){2|H<1>,5|C<3>}	119.4880	0.000	1	119.4880	0.000	1	120.2028	0.532	4	120.2028	0.532	4	120.2028	0.532	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[3x6a]	C[3x6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[3x6a]-3:C[3x6a]-3:C[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[3x6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[3x6a]-3:	B[3x6a](C[3x6a]C[6a,6a]2)3	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[3x6a]C[3x6a]2)	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[3x6a]C[3x6a]2)	B[3x6a](C[3x6a]C[6a,6a]2)3{3|O<2>,6|C<3>}	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[3x6a]C[3x6a]2){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[3x6a]C[3x6a]2){2|H<1>,5|C<3>}	120.1495	0.636	2	120.1495	0.404	2	120.2028	0.532	4	120.2028	0.532	4	120.2028	0.532	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	B[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6])	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	120.6461	2.169	8	120.6461	2.169	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	C[6,6,6a]-3:C[6,6a]-3:B[6,6,6a]-3:	B[6,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[6,6a])	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6a,6a]C[6,6a])(B[6,6,6a]C[6,6a,6a]2)	B[6,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[6,6a]){1|B<3>,8|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]2){9|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6a,6a]C[6,6a])(B[6,6,6a]C[6,6a,6a]2){9|C<3>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	120.6461	2.169	8	120.6461	2.169	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	C[6,6,6a]-3:C[6,6a]-3:B[6,6,6a]-3:	B[6,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[6,6a])	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6a]C[6a,6a]2)	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6a,6a]C[6,6a])(B[6,6,6a]C[6,6a,6a]2)	B[6,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[6,6a]){1|B<3>,8|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6a]C[6a,6a]2){9|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6,6a]C[6a,6a]C[6,6a])(B[6,6,6a]C[6,6a,6a]2){9|C<3>}	118.4200	0.000	1	118.4200	0.000	1	118.4200	0.000	1	120.6461	2.169	8	120.6461	2.169	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	B[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6])	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	122.9000	0.000	1	122.9000	0.000	1	121.1048	1.052	5	120.6461	2.169	8	120.6461	2.169	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	B[6,6,6a]-3:C[6,6a]-3:C[6,6a]-3:	B[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2	B[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](B[6,6,6a]C[6,6a,6a]2)(C[6,6a]C[6a]C[6])2{2|H<1>,4|C<4>,5|C<3>}	120.6560	0.245	4	120.6560	0.060	4	121.1048	1.052	5	120.6461	2.169	8	120.6461	2.169	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[5a,6a,6a]-3:C[6,6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6])	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6])	B[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5a,6a,6a]C[5a,6a]N[5a,6a])(C[6,6a]C[6a]C[6]){1|H<1>,2|C<4>,7|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]N[5a,6a]C[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	118.6593	0.345	4	118.6593	0.345	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[6,6a,6a]-3:C[3x6a]-3:	B[6,6,6a]-3:C[6,6,6a]-3:C[6a,6a]-3:	B[6,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[6,6a])	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6a]C[6a,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]2)	B[6,6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6,6a,6a]C[6,6a,6a]C[3x6a])(C[6,6,6a]C[6,6,6a]C[6,6a]){1|B<3>,8|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a,6a]C[6a,6a]C[6,6a])(C[3x6a]C[6a,6a]2){9|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6,6a]C[6,6a]B[3x6])(C[6a,6a]C[6a,6a]2){9|C<3>}	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	118.6593	0.345	4	118.6593	0.345	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6,6a]	C[6,6a,6a]	C[6,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a,6a]-3:C[6,6,6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	B[6,6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	B[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2)	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6])	B[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])2(C[6,6,6a]C[6,6a]2){1|N<3>,2|C<4>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6a,6a](B[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a,6a]C[6a]N[6a])(C[6,6a]C[6a]C[6]){2|C<4>,2|H<1>,6|C<3>}	118.6845	0.334	2	118.6845	0.112	2	118.6845	0.112	2	118.6593	0.345	4	118.6593	0.345	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6a,6a]	C[6,6a]	C[6,6a]	3:3:3:	3:3:4:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a,6a]-3:	B[6,6a,6a]-3:C[6a]-3:C[6]-4:	B[6,6a,6a]-3:C[6a]-3:C[6]-3:	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2)	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6a]	C[6,6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a,6a]-3:	B[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	B[6,6a]-3:C[3x6a]-3:C[6a]-3:	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])	C[6,6a,6a](B[6,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[6a,6a](B[6,6a]C[6,6a,6a]C[5a,6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6,6a]C[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6,6a,6a](B[6,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[6a,6a](B[6,6a]C[6,6a,6a]C[5a,6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6a]	C[6,6a]	C[6,6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a,6a]-3:B[6,6a]-3:C[6a]-3:	B[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]H)	C[6,6a,6a](B[6,6a]C[6,6a]O[6a])(C[6,6a]B[6,6a]C[6a])(C[6a,6a]C[6a]2)	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a]){1|B<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a,6a](B[6,6a]C[6,6a]O[6a])(C[6,6a]B[6,6a]C[6a])(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	121.6810	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6a]	C[6,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	B[6,6a]-3:C[6,6a]-3:C[6a]-3:	B[6,6a]-3:C[6a]-3:C[6]-3:	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){7|C<3>}	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	118.9000	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6,6a]	C[6a,6a]	C[6,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	B[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a]-3:C[6]-3:C[6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a])	C[6a,6a](B[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6a,6a](B[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){7|C<3>}	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	118.5490	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[3x6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[3x6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2)	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[6a,6a]C[6a,6a]2)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(C[3x6a]C[6a,6a]2){2|H<1>,2|O<2>,6|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]C[3x6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[3x6a](C[6a,6a]C[6a]O[6a])2(B[6a,6a]C[6a,6a]2){1|Ir<6>,1|H<1>,5|C<3>}	114.2518	0.382	6	114.2518	0.146	6	114.2518	0.146	6	114.2518	0.146	6	114.2518	0.146	6	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[6a,6a]C[6a,6a]2){2|H<1>,8|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	129.9495	1.023	2	129.9495	1.047	2	129.9495	1.047	2	124.4382	40.913	4	124.4382	40.913	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(N[6a]C[6a,6a]H){2|H<1>,6|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){1|H<1>,7|C<3>}	118.9270	0.444	2	118.9270	0.197	2	118.9270	0.197	2	124.4382	40.913	4	124.4382	40.913	4	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	117.7550	0.000	1	118.4643	0.449	3	118.4643	0.449	3	117.8236	0.558	7	117.8236	0.558	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a,6a]-3:N[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,3|H<1>,4|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.8190	0.378	2	118.4643	0.449	3	118.4643	0.449	3	117.8236	0.558	7	117.8236	0.558	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:H-1:	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H)	B[6a,6a](N[6a,6a]C[6a,6a]N[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|B<3>,2|H<1>,5|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a,6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	117.3430	0.313	4	117.3430	0.098	4	117.3430	0.098	4	117.8236	0.558	7	117.8236	0.558	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2)	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	B[6a,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]2){1|B<3>,3|H<1>,6|C<3>}	C[6a](B[6a,6a]C[6a,6a]N[6a,6a])(C[6a]B[6a,6a]C[6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,6|C<3>}	C[6a,6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,6|C<3>}	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a,6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a,6a]-3:C[6a]-3:C-3:	B[6a,6a]-3:C[6a]-3:C-3:	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO)	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]C)2{2|C<3>,4|H<1>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(CCO){1|H<1>,4|C<3>}	129.7790	0.000	1	129.7790	0.000	1	129.7790	0.000	1	129.7790	0.000	1	129.7790	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	115.9750	0.269	2	115.9750	0.072	2	117.9663	9.166	24	117.9663	9.166	24	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]O[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	115.6493	0.281	10	115.6493	0.079	10	117.9663	9.166	24	117.9663	9.166	24	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	121.7900	0.844	8	121.7900	0.713	8	117.9663	9.166	24	117.9663	9.166	24	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4a,6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4,6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4a,6a]H){1|H<1>,1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4,6a]H){1|H<1>,1|O<2>,4|C<3>}	121.2940	0.000	1	121.2940	0.000	1	117.9663	9.166	24	117.9663	9.166	24	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H){1|B<3>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H){1|B<3>,1|H<1>,4|C<3>}	115.4950	0.000	1	115.4950	0.000	1	117.9663	9.166	24	117.9663	9.166	24	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H){1|B<3>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	115.8195	0.238	2	115.8195	0.057	2	117.9663	9.166	24	117.9663	9.166	24	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a])	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a,6a]C[6a]){1|O<2>,3|H<1>,7|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	114.2070	0.000	1	114.2070	0.000	1	115.2118	4.116	12	115.2118	4.116	12	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	114.7570	0.000	1	114.7570	0.000	1	115.2118	4.116	12	115.2118	4.116	12	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	113.9840	0.000	1	114.5107	0.073	6	115.2118	4.116	12	115.2118	4.116	12	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,6|C<3>}	114.6380	0.117	3	114.5107	0.073	6	115.2118	4.116	12	115.2118	4.116	12	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|N<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	114.5830	0.010	2	114.5107	0.073	6	115.2118	4.116	12	115.2118	4.116	12	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a,6a]H){1|B<3>,1|H<1>,5|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]O[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	113.7790	0.341	2	113.7790	0.116	2	115.2118	4.116	12	115.2118	4.116	12	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6a]C[6a]2){1|S<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	C[6a,6a](B[6a]C[6a,6a]C[6a])(C[6a,6a]C[6a]S[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	119.4780	0.345	2	119.4780	0.119	2	115.2118	4.116	12	115.2118	4.116	12	117.0481	9.051	36	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:1:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]Cl)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3){1|C<4>,2|C<3>}	118.7550	0.173	2	118.7550	0.030	2	118.7550	0.030	2	118.7550	0.030	2	116.8167	2.195	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:B[6a]-3:	C[6a]-3:B[6a]-3:Br-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(Br)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]O){1|Br<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(Br){5|C<3>}	115.0440	0.000	1	115.0440	0.000	1	115.0440	0.000	1	115.0440	0.000	1	116.8167	2.195	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]O)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	116.6590	0.000	1	116.6590	0.000	1	116.6590	0.000	1	115.9675	0.956	2	116.8167	2.195	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]O)(C[6a]C[6a]H)	C[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO){1|H<1>,2|C<3>}	115.2760	0.000	1	115.2760	0.000	1	115.2760	0.000	1	115.9675	0.956	2	116.8167	2.195	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2){1|Br<1>,1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	116.6280	0.000	1	116.6280	0.000	1	116.6280	0.000	1	116.6140	0.000	2	116.8167	2.195	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6a]	3:3:3:	3:3:3:	3:3:4:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:B[6a]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]2)	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]C){1|Br<1>,1|H<1>,2|C<4>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]2){1|C<4>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	116.6140	0.000	2	116.8167	2.195	7	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a]	C[6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)2	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)(C[6a]C[6a]H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,2|H<1>,7|C<3>}	C[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,7|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(B[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	114.9790	0.000	1	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:N-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:N[6a]-3:H-1:	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	C[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(H)	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H)	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|H<1>}	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	110.9420	0.000	1	110.9420	0.000	1	110.9420	0.000	1	110.9420	0.000	1	111.6500	2.632	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:N-3:	B[6a]-3:N[6a]-3:H-1:	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H)	B[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(C[6a]N[6a]H){3|C<4>,4|C<3>}	C[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](B[6a]C[6a]2)(N[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|C<3>}	114.2190	0.421	2	114.2190	0.178	2	114.2190	0.178	2	114.2190	0.178	2	111.6500	2.632	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)2(CC3)	C[6a](C[6a]C[6a]N[6a])(B[6a]C[6a]C)(H)	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H)	B[6a](C[6a]C[6a]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]N[6a])(B[6a]C[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	110.6848	0.406	4	110.6848	0.165	4	110.7640	0.155	5	110.7640	0.155	5	111.6500	2.632	8	117.5779	14.925	92
927	643	643	6:SP2_SP2_SP2	B[6a]	C[6a]	C[6a]	3:3:4:	3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:B[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a](C[6a]C[6a]H)2(CC3)	C[6a](C[6a]N[6a]C[5])(B[6a]C[6a]C)(H)	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H)	B[6a](C[6a]C[6a]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C[6a](C[6a]N[6a]C[5])(B[6a]C[6a]C)(H){1|Fe<10>,1|C<3>,1|H<1>,3|C<4>}	C[6a](B[6a]C[6a]C)(C[6a]N[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	111.0810	0.000	1	111.0810	0.000	1	110.7640	0.155	5	110.7640	0.155	5	111.6500	2.632	8	117.5779	14.925	92
927	643	727	0:SP2_SP2_SP2	B[6,6a]	C[6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a,6a]-3:	B[6,6a]-3:C[3x6a]-3:C[6a]-3:	B[6,6a]-3:C[5a,6,6a]-3:C[5a]-3:	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](B[6,6a]C[6,6a,6a]C[5a,6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H)	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6,6a]C[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6a,6a](B[6,6a]C[6,6a,6a]C[5a,6])(C[3x6a]C[6a,6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|C<4>,6|C<3>}	126.1940	0.000	1	126.1940	0.000	1	126.1940	0.000	1	126.1940	0.000	1	126.1940	0.000	1	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|B<3>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	128.9100	0.970	2	128.9100	0.941	2	127.4325	3.918	4	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:N[5a,6a]-3:N[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|H<1>,7|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){9|C<3>}	125.9550	1.442	2	125.9550	2.081	2	127.4325	3.918	4	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[5a,6,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	122.3270	1.281	2	122.3270	1.642	2	121.6573	1.248	8	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H)	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]2){1|C<4>,1|S<2>,5|C<3>,5|H<1>}	C[6a](B[6a]C[5a,6a]N[6,6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]N[6,6a]C[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	121.4340	1.086	6	121.4340	1.180	6	121.6573	1.248	8	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[5a,5a]-3:C[5a,6a]-3:B[6a]-3:	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	B[6a](C[5a,6a]C[5a,5a]C[5a,6a])(N[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,2|S<2>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,6|C<3>}	127.0100	0.000	1	127.0100	0.000	1	127.0100	0.000	1	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:B[6a]-3:C[5a]-3:	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H)	B[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a]C)(C[6a]C[6a]2){1|S<2>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])(C[5a]C[5a]H){1|C<4>,1|H<1>,4|C<3>}	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|B<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]B[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|H<1>,1|N<3>,6|C<3>}	126.6275	0.310	2	126.6275	0.096	2	126.7030	0.065	3	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	0:SP2_SP2_SP2	B[6a]	C[6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:B[6a]-3:	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a])	B[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]H)(C[6a]C[6a]2){1|S<2>,2|H<1>,6|C<3>}	C[6a](B[6a]C[5a,6a]N[6a])(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(B[6a]C[6a]N[6a]){1|C<4>,1|H<1>,6|C<3>}	126.8540	0.000	1	126.8540	0.000	1	126.7030	0.065	3	124.2075	9.285	17	124.2075	9.285	17	124.3179	8.958	18
927	643	727	6:SP2_SP2_SP2	B[6,6a]	C[6,6a,6a]	C[5a,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a,6a]-3:C[5a,6]-3:C[6a,6a]-3:	B[6,6a]-3:C[6a,6a]-3:C[6,6a]-3:	B[6,6a]-3:C[5a,6,6a]-3:C[5a]-3:	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])	C[6,6a,6a](B[6,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H)	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[5a,6]C[5a,6,6a]C[5a])(C[6a,6a]C[3x6a]C[6a]){1|N<3>,2|H<1>,7|C<3>}	C[6,6a,6a](B[6,6a]C[6a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a]){1|C<4>,1|H<1>,7|C<3>}	C[5a,6](B[6,6a]C[6,6a,6a]C[6a,6a])(C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a]N[5a]H){1|C<4>,6|C<3>}	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	115.0570	0.000	1	116.8673	2.473	3
927	643	727	6:SP2_SP2_SP2	B[6a,6a]	C[3x6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	B[6a,6a]-3:C[3x6a]-3:C[3x6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	B[6a,6a](C[5a,6a]C[5a,6a]2)2(C[3x6a]C[3x6a]2)	C[3x6a](B[6a,6a]C[5a,6a]2)(C[3x6a]C[6a,6a]2)2	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])	B[6a,6a](C[5a,6a]C[5a,6a]2)2(C[3x6a]C[3x6a]2){2|S<2>,8|C<3>}	C[3x6a](B[6a,6a]C[5a,6a]2)(C[3x6a]C[6a,6a]2)2{9|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a]){8|C<3>}	117.7725	0.172	2	117.7725	0.030	2	117.7725	0.030	2	117.7725	0.030	2	117.7725	0.030	2	116.8673	2.473	3
927	643	762	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6]-3:C[6]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]C[6])(C[6a]C[6a,6a]H)	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2){1|Br<1>,1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,7|C<3>}	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2{1|C<4>,4|C<3>}	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	121.6860	27.469	2
927	643	762	0:SP2_SP2_SP2	B[6a]	C[6a]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6a,6a]-3:C[6a]-3:C[6]-3:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6]-3:C[6]-3:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2)	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH)	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]2){1|Br<1>,1|H<1>,2|C<2>,2|C<4>,3|C<3>}	C[6a](B[6a]C[6a,6a]C[6])(C[6a]C[6a,6a]Br)(CCHH){5|C<3>}	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2{1|C<4>,4|C<3>}	117.9800	0.000	1	117.9800	0.000	1	117.9800	0.000	1	117.9800	0.000	1	117.9800	0.000	1	121.6860	27.469	2
927	643	790	0:SP2_SP-NON_SP2	B[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]Cl)(C[6a]C[6a]H)	Cl(B[6a]C[6a,6a]C[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	Cl(B[6a]C[6a,6a]C[6a])	120.3100	0.195	2	120.3100	0.038	2	120.3100	0.038	2	119.9915	2.583	4	119.9915	2.583	4	120.3053	1.786	6
927	643	790	0:SP2_SP-NON_SP2	B[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(B[6a]C[6a,6a]N[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[3x6])(Cl){1|H<1>,3|C<4>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	Cl(B[6a]C[6a,6a]N[6a])	117.7620	0.000	1	117.7620	0.000	1	119.6730	7.304	2	119.9915	2.583	4	119.9915	2.583	4	120.3053	1.786	6
927	643	790	0:SP2_SP-NON_SP2	B[6a]	C[6a,6a]	Cl	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:Cl-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H)	Cl(B[6a]C[6a,6a]N[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]C[6a])(Cl){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]Cl)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Cl(B[6a]C[6a,6a]N[6a])	121.5840	0.000	1	121.5840	0.000	1	119.6730	7.304	2	119.9915	2.583	4	119.9915	2.583	4	120.3053	1.786	6
927	643	790	0:SP2_SP-NON_SP2	B[6a]	C[6a]	Cl	3:3:1:	3:3:4:	3:	C[6a,6a]-3:C[6a]-3:Cl-1:	B[6a]-3:C[6a]-3:C-4:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl)	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3)	Cl(B[6a]C[6a,6a]C[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6a](B[6a]C[6a,6a]Cl)(C[6a]N[6a]H)(CH3){1|C<4>,2|C<3>}	Cl(B[6a]C[6a,6a]C[6a])	120.9330	0.024	2	120.9330	0.001	2	120.9330	0.001	2	120.9330	0.001	2	120.9330	0.001	2	120.3053	1.786	6
927	643	813	0:SP2_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|H<1>,7|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){2|N<3>,7|C<3>}	120.6130	2.014	2	120.6130	4.056	2	119.5228	3.335	4	119.5228	3.335	4	119.5228	3.335	4	119.5228	3.335	4
927	643	813	0:SP2_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|B<3>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](B[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	118.4325	1.092	2	118.4325	1.194	2	119.5228	3.335	4	119.5228	3.335	4	119.5228	3.335	4	119.5228	3.335	4
927	643	813	6:SP2_SP2_SP2	B[6a,6a]	C[6a,6a]	N[5,6a,6a]	3:3:3:	3:3:3:	3:3:3:	C[6a,6a]-3:C[6a,6a]-3:N[5,6a,6a]-3:	B[6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[5,6a,6a]-3:C[5,6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5,6a,6a]C[5,6a,6a]2)	C[6a,6a](B[6a,6a]N[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2)	B[6a,6a](C[6a,6a]C[6a,6a]C[6a])2(N[5,6a,6a]C[5,6a,6a]2){1|N<3>,2|H<1>,7|C<3>}	C[6a,6a](B[6a,6a]N[5,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	N[5,6a,6a](C[5,6a,6a]C[5,6a,6a]C[6a,6a])(C[5,6a,6a]N[5,6a,6a]C[6a,6a])(B[6a,6a]C[6a,6a]2){1|B<3>,7|C<3>}	110.4183	0.489	4	110.4183	0.239	4	110.4183	0.239	4	110.4183	0.239	4	110.4183	0.239	4	112.0083	6.249	6
927	643	813	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	N[5,6a]	3:3:2:	3:3:3:	3:3:3:	C[6a,6a]-3:N[5,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[5,6a]-3:B[6a]-3:C[5]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[5,6a]O)(C[6a]C[6a]H)	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[5,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	114.8840	0.000	1	112.0083	6.249	6
927	643	813	6:SP2_SP2_SP2	B[6a]	C[6a]	N[5a,6a]	3:3:4:	3:3:1:	3:4:3:	N[5a,6a]-3:C[6a]-3:C-4:	B[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:B[6a]-3:	B[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(CH3)	C[6a](B[6a]N[5a,6a]C)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C)	B[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	C[6a](B[6a]N[5a,6a]C)(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[6a]2)(B[6a]C[6a]C){2|H<1>,7|C<3>}	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	112.0083	6.249	6
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(B[6a]C[6a,6a]O[6a])(H)	122.7837	0.577	4	122.7837	0.333	4	122.9562	0.268	10	122.9562	0.268	10	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	O(B[6a]C[6a,6a]O[6a])(H)	123.0180	0.000	2	123.2195	0.275	4	122.9562	0.268	10	122.9562	0.268	10	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	O(B[6a]C[6a,6a]O[6a])(H)	123.4210	0.813	2	123.2195	0.275	4	122.9562	0.268	10	122.9562	0.268	10	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	O(B[6a]C[6a,6a]O[6a])(H)	122.5250	0.000	1	122.7745	0.125	2	122.9562	0.268	10	122.9562	0.268	10	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:1:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]O[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O(B[6a]C[6a,6a]O[6a])(H)	123.0240	0.000	1	122.7745	0.125	2	122.9562	0.268	10	122.9562	0.268	10	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	119.7260	3.746	4	119.7260	14.031	4	119.7260	14.031	4	119.7260	14.031	4	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:2:2:	3:3:3:	3:4:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C-4:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]O[6a])(CH3)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	O(B[6a]C[6a,6a]O[6a])(CH3)	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4,6a]H)	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4,6a]H){1|H<1>,1|O<2>,4|C<3>}	O(B[6a]C[6a,6a]2)(H)	115.4780	0.000	1	115.4780	0.000	1	121.4257	13.481	8	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4a,6a]H)	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(B[6a]C[6a,6a]O)(C[6a]C[4a,6a]H){1|H<1>,1|O<2>,4|C<3>}	O(B[6a]C[6a,6a]2)(H)	123.0930	0.000	1	123.0930	0.000	1	121.4257	13.481	8	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H){1|B<3>,1|H<1>,4|C<3>}	O(B[6a]C[6a,6a]2)(H)	123.6513	2.741	4	123.6513	7.512	4	121.4257	13.481	8	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]2)(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OH){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	O(B[6a]C[6a,6a]2)(H)	119.1150	1.785	2	119.1150	3.185	2	121.4257	13.481	8	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(B[6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,5|C<3>}	O(B[6a]C[6a,6a]C[6a])(H)	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[3x6a]-3:C[6a]-3:B[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]O)	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a,6a]H)(B[6a]C[6a]O){1|Br<1>,5|C<3>}	O(B[6a]C[6a,6a]C[6a])(H)	120.9900	0.000	1	120.9900	0.000	1	120.9900	0.000	1	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(B[6a]C[6a,6a]C[6a])(H)	117.5370	0.000	1	117.5370	0.000	1	117.5370	0.000	1	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:N[5,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[5,6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]N[5,6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[5,6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(B[6a]C[6a,6a]N[5,6a])(H)	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	C[3x6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH)	C[6a,6a](C[3x6a]C[3x6a]2)(B[6a]N[6a]O)(C[6a]C[6a]O)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(N[6a]C[6a,6a]H)(OH){1|O<2>,4|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(B[6a]N[6a]O)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	O(B[6a]C[6a,6a]N[6a])(H)	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	O(B[6a]C[6a,6a]N[6a])(H)	128.1850	0.000	1	125.6115	13.246	2	126.4330	8.647	3	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]C)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	O(B[6a]C[6a,6a]N[6a])(H)	123.0380	0.000	1	125.6115	13.246	2	126.4330	8.647	3	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]N[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a]H)(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,4|H<1>}	O(B[6a]C[6a,6a]N[6a])(H)	128.0760	0.000	1	128.0760	0.000	1	126.4330	8.647	3	122.6397	14.203	16	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(B[6a]C[6a,6a]2)2	121.9993	1.296	4	121.9993	1.680	4	120.8875	4.025	39	120.8875	4.025	39	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	C[6a,6a](C[6a,6a]C[6a]O[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|O<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]O[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(B[6a]C[6a,6a]2)2	122.1625	1.471	19	122.1625	2.164	19	120.8875	4.025	39	120.8875	4.025	39	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]2)2	B[6a](C[6a,6a]C[6a,6a]C[6a])2(OB[6a]){1|S<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(B[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O(B[6a]C[6a,6a]2)2	119.0955	1.203	16	119.0955	1.448	16	120.8875	4.025	39	120.8875	4.025	39	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:N[6a]-3:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:Si-4:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]O)(C[6a]C[6a]H)	O(B[6a]C[6a,6a]N[6a])(SiC3)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a]H)(OSi){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]N[6a]O)(C[6a]C[6a]H){3|C<3>,3|H<1>}	O(B[6a]C[6a,6a]N[6a])(SiC3)	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	121.4670	7.194	71	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	2:3:2:	3:3:1:	3:1:	O[6a]-2:C[6a]-3:O-2:	C[6a]-3:B[6a]-3:H-1:	B[6a]-3:H-1:	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(B[6a]O[6a]O)(H)	O(B[6a]C[6a]O[6a])(H)	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]O[6a]O)(H){2|C<3>}	O(B[6a]C[6a]O[6a])(H)	124.5625	2.716	2	124.5625	7.377	2	124.5625	7.377	2	124.5625	7.377	2	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:1:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:B[6a]-3:Br-1:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH)	C[6a](C[6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(Br)	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]Br)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)(Br){5|C<3>}	O(B[6a]C[6a,6a]C[6a])(H)	123.9660	0.000	1	123.9660	0.000	1	123.9660	0.000	1	123.9660	0.000	1	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-3:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	O(B[6a]C[6a]N[6a])(CCO)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	O(B[6a]C[6a]N[6a])(CCO)	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	123.6270	28.547	2	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:1:	3:3:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:N[6]-3:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6])	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(ON[6]){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(B[6a]C[6a]N[6a])(N[6]C[6]2)	127.4050	0.000	1	127.4050	0.000	1	127.4050	0.000	1	123.6270	28.547	2	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	O(B[6a]C[6a]N[6a])(CCHH)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(B[6a]C[6a]N[6a])(CCHH)	127.6040	0.000	1	127.6040	0.000	1	128.0645	0.424	2	127.6077	0.838	3	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	O(B[6a]C[6a]N[6a])(CH3)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OC){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(B[6a]C[6a]N[6a])(CH3)	128.5250	0.000	1	128.5250	0.000	1	128.0645	0.424	2	127.6077	0.838	3	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:1:	3:4:	C[6a]-3:N[6a]-3:O-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:P-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP)	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H)	O(B[6a]C[6a]N[6a])(PC[6a]3)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(OP){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]O)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	O(B[6a]C[6a]N[6a])(PC[6a]3)	126.6940	0.000	1	126.6940	0.000	1	126.6940	0.000	1	127.6077	0.838	3	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	B[6a]-3:C[6a]-3:C-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH)	C[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO)	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6a](B[6a]C[6a,6a]O)(C[6a]N[6a]C)(COO){1|H<1>,2|C<3>}	O(B[6a]C[6a,6a]C[6a])(H)	127.1870	0.000	1	127.1870	0.000	1	127.1870	0.000	1	123.7640	23.080	3	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:C[6a]-3:O-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)(C[6a]C[6a]2)	O(B[6a]C[6a,6a]C[6a])(H)	B[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]2)(OH){2|H<1>,5|C<3>}	C[6a](B[6a]C[6a,6a]O)(C[6a]C[6a,6a]H)(C[6a]C[6a]2){2|H<1>,5|C<3>}	O(B[6a]C[6a,6a]C[6a])(H)	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	123.7640	23.080	3	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:3:	3:1:	N[6a]-3:C[6a]-3:O-2:	C[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:H-1:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2)	O(B[6a]C[6a]N[6a])(H)	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OH){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	O(B[6a]C[6a]N[6a])(H)	125.8330	0.000	1	125.8330	0.000	1	125.8330	0.000	1	123.7640	23.080	3	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	N[6a]-3:C[6a]-3:O-2:	C[6a]-3:B[6a]-3:C-3:	B[6a]-3:B[6a]-3:	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a])	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(CC[6a]C)	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(OB[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(CC[6a]C){1|H<1>,2|C<3>}	O(B[6a]C[6a]N[6a])2	128.5195	0.311	4	128.5195	0.097	4	128.5195	0.097	4	127.5788	2.318	6	125.8784	9.521	17	122.3192	10.608	88
927	643	893	0:SP2_SP2_SP2	B[6a]	C[6a]	O	3:3:2:	3:3:3:	3:3:	N[6a]-3:C[6a]-3:O-2:	C[6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a])	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2)	O(B[6a]C[6a]N[6a])2	B[6a](N[6a]C[6a,6a]C)(C[6a]C[6a]2)(OB[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]N[6a]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	O(B[6a]C[6a]N[6a])2	125.6975	0.827	2	125.6975	0.683	2	125.6975	0.683	2	127.5788	2.318	6	125.8784	9.521	17	122.3192	10.608	88
927	643	914	0:SP2_SP2_SP2	B[6,6a]	C[6a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	B[6,6a]-3:C[6a,6a]-3:C[6a]-3:	B[6,6a]-3:C[6,6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a])	C[6a,6a](B[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6a,6a](B[6,6a]C[6,6a]N[6])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1
927	643	914	6:SP2_SP2_SP2	B[6,6a]	C[6,6a]	N[6]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	B[6,6a]-3:C[6]-3:C[6a]-3:	B[6,6a]-3:C[6,6a]-3:	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a])	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){7|C<3>}	N[6](B[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,6|C<3>}	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1
927	643	924	0:SP2_SP-NON_SP2	B[6a]	C[6a,6a]	Br	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[6a]-3:Br-1:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]Br)(C[6a]C[6a]H)	Br(B[6a]C[6a,6a]N[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a]2)(Br){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]N[6a]Br)(C[6a]C[6a]H){3|C<3>,3|H<1>}	Br(B[6a]C[6a,6a]N[6a])	119.0047	0.072	3	119.0047	0.005	3	119.0047	0.005	3	119.0047	0.005	3	119.0047	0.005	3	119.0047	0.005	3
927	643	929	6:SP2_SP2_SP2	B[6a,6a]	C[3x6a]	S[6a]	3:2:2:	3:3:3:	3:3:	C[3x6a]-3:S[6a]-2:S[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])2	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]S[6a]2)	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a])	B[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])2{6|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]S[6a]2){2|H<1>,5|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a]){1|H<1>,5|C<3>}	123.3445	0.657	2	123.3445	0.432	2	123.3445	0.432	2	123.3445	0.432	2	123.3445	0.432	2	123.3445	0.432	2
927	643	930	0:SP2_SP2_SP2	B[6a]	C[6a]	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-3:H-1:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	124.2540	0.000	1	124.2540	0.000	1	124.2540	0.000	1	124.2540	0.000	1	124.2540	0.000	1	124.2540	0.000	1
927	643	933	0:SP2_SP2_SP2	B[6,6a]	C[6,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[6,6a,6a]-3:C[6,6a]-3:O[6a]-2:	C[6,6a,6a]-3:B[6,6a]-3:C[6a]-3:	B[6,6a]-3:C[6a]-3:	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a])	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]H)	O[6a](B[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a]){1|B<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]B[6,6a])(B[6,6a]C[6,6a,6a]O[6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	O[6a](B[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	118.8940	0.000	1	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:2:3:	3:3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	C[6a](B[6a]O[6a]2)(C[6a]C[6a]F)2	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]F)2{2|F<1>,3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	118.5480	1.022	2	118.6130	0.417	6	118.7297	0.558	12	118.7297	0.558	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:2:3:	3:3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	C[6a](B[6a]O[6a]2)(C[6a]C[6a]F)2	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]F)2{2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	118.6455	0.585	4	118.6130	0.417	6	118.7297	0.558	12	118.7297	0.558	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:2:3:	3:3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{2|F<1>,3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	118.6170	0.345	2	118.8107	0.114	4	118.7297	0.558	12	118.7297	0.558	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:2:3:	3:3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	119.0045	0.271	2	118.8107	0.114	4	118.7297	0.558	12	118.7297	0.558	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:2:3:	3:3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	C[6a](B[6a]O[6a]2)(C[6a]C[6a]O)2	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|O<2>,5|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]O)2{2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	118.9175	1.879	2	118.9175	3.530	2	118.7297	0.558	12	118.7297	0.558	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:3:2:	3:3:3:	3:3:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a])	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	118.2258	0.744	6	118.2258	0.554	6	117.7283	0.707	22	117.7283	0.707	22	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:3:2:	3:3:3:	3:3:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|C<4>,3|C<3>,3|O<2>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	117.3750	1.310	4	117.3750	1.716	4	117.7283	0.707	22	117.7283	0.707	22	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:3:2:	3:3:3:	3:3:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|H<1>,3|C<3>,3|O<2>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	117.5972	0.657	12	117.5972	0.431	12	117.7283	0.707	22	117.7283	0.707	22	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:3:2:	3:3:3:	3:4:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a,6a]-4:	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)2	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|C<4>,3|C<3>,3|O<2>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	121.9938	1.583	4	121.9938	2.505	4	121.4579	0.852	16	121.4579	0.852	16	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:3:2:	3:3:3:	3:4:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a,6a]-4:	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|H<1>,3|C<3>,3|O<2>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	121.2793	0.583	12	121.2793	0.340	12	121.4579	0.852	16	121.4579	0.852	16	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:3:2:	3:3:3:	4:3:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[5,6a]-4:B[6a]-3:	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a])	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,3|C<4>,4|C<3>}	120.9170	0.572	6	120.9170	0.327	6	120.9170	0.327	6	120.9170	0.327	6	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H)	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]2)(C[6a]C[6a]H){2|B<3>,2|H<1>,3|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	120.7320	2.947	12	120.7320	8.687	12	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H)	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|B<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	120.7912	3.083	6	120.7912	9.503	6	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)2	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|C<3>,2|C<4>,3|O<2>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]C)2{1|C<3>,2|B<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O){1|B<3>,2|C<3>}	120.4755	3.238	2	120.4755	10.484	2	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]F)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|F<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]F)2{1|C<3>,2|B<3>,2|F<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	120.0953	0.159	3	120.0953	0.025	3	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	119.3535	0.706	4	119.9496	1.218	45	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|F<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	118.4880	0.696	2	119.9496	1.218	45	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	118.4532	1.769	4	119.9496	1.218	45	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|F<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	120.2310	0.658	9	119.9496	1.218	45	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|C<3>,2|B<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	120.4840	0.597	24	119.9496	1.218	45	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|H<1>,2|O<2>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	117.9175	0.292	2	119.9496	1.218	45	120.1838	3.219	68	120.1838	3.219	68	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|F<1>}	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	119.8390	0.185	2	119.9578	2.008	6	120.1208	1.360	12	120.1208	1.360	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	120.0173	1.822	4	119.9578	2.008	6	120.1208	1.360	12	120.1208	1.360	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,1|N<3>,5|C<3>}	120.5055	0.357	2	120.5055	0.128	2	120.1208	1.360	12	120.1208	1.360	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a]){1|B<3>,6|C<3>}	119.1585	0.134	2	119.1585	0.018	2	120.1208	1.360	12	120.1208	1.360	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:2:2:	3:3:3:	4:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a])	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|H<1>,2|O<2>,4|C<3>}	C[6a](B[6a]O[6a]2)(C[6a]C[6a]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	121.1870	0.440	2	121.1870	0.193	2	120.1208	1.360	12	120.1208	1.360	12	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a])	C[6a](B[6a]C[6a,6a]O[6a])(C[6a]C[6a]C)2	O[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[6a](B[6a]C[6a,6a]O[6a])(C[6a]C[6a]C)2{2|H<1>,4|C<3>}	O[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	113.9177	4.547	3	119.7073	3.976	139	119.7015	3.952	140
927	643	933	0:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)2(O[6a]C[6a])	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]H)2	O[6a](B[6a]C[6a]2)(C[6a]C[6a]2)	B[6a](C[6a]C[6a]2)2(O[6a]C[6a]){2|H<1>,7|C<3>}	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O[6a](B[6a]C[6a]2)(C[6a]C[6a]2){7|C<3>}	112.6990	0.427	2	112.6990	0.182	2	112.6990	0.182	2	113.9177	4.547	3	119.7073	3.976	139	119.7015	3.952	140
927	643	933	6:SP2_SP2_SP2	B[6,6a]	C[6,6a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[6,6a,6a]-3:C[6,6a]-3:O[6a]-2:	B[6,6a]-3:C[6,6a]-3:C[6a,6a]-3:	B[6,6a]-3:C[6a]-3:	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a])	C[6,6a,6a](B[6,6a]C[6,6a]O[6a])(C[6,6a]B[6,6a]C[6a])(C[6a,6a]C[6a]2)	O[6a](B[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)	B[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a,6a]C[6a])(O[6a]C[6a]){1|B<3>,2|H<1>,5|C<3>}	C[6,6a,6a](B[6,6a]C[6,6a]O[6a])(C[6,6a]B[6,6a]C[6a])(C[6a,6a]C[6a]2){1|O<2>,3|H<1>,4|C<3>}	O[6a](B[6,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a,6a]	C[3x6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[3x6a]-3:O[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2	C[3x6a](C[6a,6a]C[6a,6a]2)2(B[6a,6a]O[6a]2)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a])	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2{6|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]2)2(B[6a,6a]O[6a]2){7|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a]){1|H<1>,5|C<3>}	121.3824	0.400	8	121.3824	0.160	8	121.4308	0.158	10	121.4308	0.158	10	121.4308	0.158	10	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a,6a]	C[3x6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[3x6a]-3:O[6a]-2:O[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]O[6a]2)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a])	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2{6|C<3>}	C[3x6a](C[6a,6a]C[6a,6a]C[6a])2(B[6a,6a]O[6a]2){2|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a]){1|H<1>,5|C<3>}	121.6245	0.456	2	121.6245	0.208	2	121.4308	0.158	10	121.4308	0.158	10	121.4308	0.158	10	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:2:2:	3:3:3:	3:2:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:N[6a]-2:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|C<3>,1|N<2>,3|H<1>}	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>}	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]2){1|Cl<1>,4|C<3>}	118.9070	0.257	2	118.9070	0.066	2	118.6590	0.104	4	118.9399	0.506	13	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<3>,2|C<3>}	118.4110	0.000	2	118.4110	0.000	2	118.6590	0.104	4	118.9399	0.506	13	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6a]-3:N[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(B[6a]O[6a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	118.5880	0.000	1	118.5880	0.000	1	118.5880	0.000	1	118.9399	0.506	13	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O){1|H<1>,4|C<3>}	119.2957	1.182	4	119.2957	1.397	4	119.1244	0.721	8	118.9399	0.506	13	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:2:2:	3:3:3:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H){2|H<1>,3|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O){1|H<1>,4|C<3>}	118.9530	0.455	4	118.9530	0.207	4	119.1244	0.721	8	118.9399	0.506	13	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:2:2:	3:3:3:	4:3:	C[6a,6a]-3:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:C[6a]-3:	B[6,6a]-4:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC)	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]N[6,6a]C[6a])(B[6a]O[6a]O)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O){5|C<3>}	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a,6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[6a,6a]-3:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a,6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a])	C[6a,6a](B[6a]C[6a]O[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	O[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(O[6a]C[6a]){1|H<1>,2|C<4>,6|C<3>}	C[6a,6a](B[6a]C[6a]O[6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	O[6a](B[6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	117.4500	0.000	1	117.4500	0.000	1	117.4500	0.000	1	117.4500	0.000	1	119.0464	1.044	16	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	2:3:2:	3:3:1:	3:3:	O[6a]-2:C[6a]-3:O-2:	C[6a]-3:B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH)	C[6a](C[6a]C[6a,6a]H)(B[6a]O[6a]O)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(B[6a]O[6a]O)(H){2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O){2|H<1>,3|C<3>}	118.8510	0.069	2	118.8510	0.005	2	118.8510	0.005	2	118.8510	0.005	2	117.9736	1.275	5	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	3:3:2:	3:3:3:	3:3:	C[6a]-3:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]2)2(O[6a]C[6a])	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]2)2	O[6a](B[6a]C[6a]2)(C[6a]C[6a]2)	B[6a](C[6a]C[6a]2)2(O[6a]C[6a]){2|H<1>,7|C<3>}	C[6a](B[6a]C[6a]O[6a])(C[6a]C[6a]2)2{2|H<1>,8|C<3>}	O[6a](B[6a]C[6a]2)(C[6a]C[6a]2){7|C<3>}	116.7400	0.072	2	116.7400	0.005	2	116.7400	0.005	2	116.7400	0.005	2	117.9736	1.275	5	119.6357	2.381	32
927	643	933	6:SP2_SP2_SP2	B[6a]	C[6a]	O[6a]	4:3:2:	3:3:1:	3:3:	C[6]-4:C[6a]-3:O[6a]-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(O[6a]C[6a])	C[6a](B[6a]O[6a]C[6])(C[6a]C[6a]H)(H)	O[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H)	B[6a](C[6]C[6]2Cr)(C[6a]C[6a]H)(O[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	C[6a](B[6a]O[6a]C[6])(C[6a]C[6a]H)(H){1|Cr<9>,1|C<3>,1|H<1>,2|C<4>}	O[6a](B[6a]C[6a]C[6])(C[6a]C[6a]H){1|Cr<9>,1|C<3>,2|C<4>,2|H<1>}	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	117.9736	1.275	5	119.6357	2.381	32
927	643	941	0:SP2_SP2_SP2	B[6a]	C[6a]	N	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:N-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-2:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC)	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H)	N(B[6a]C[6a]N[6a])(CCr)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(B[6a]C[6a]N[6a])(CCr)	123.0260	0.000	1	123.0260	0.000	1	123.0260	0.000	1	123.0260	0.000	1	123.0260	0.000	1	123.0260	0.000	1
927	643	951	0:SP2_SP-NON_SP2	B[6a]	C[6a]	H	3:3:1:	3:3:1:	3:	N[6a,6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H)	C[6a](B[6a]N[6a,6a]H)(C[6a]C[6a]H)(H)	H(B[6a]N[6a,6a]C[6a])	B[6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	C[6a](B[6a]N[6a,6a]H)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	H(B[6a]N[6a,6a]C[6a])	128.8825	0.996	2	128.8825	0.993	2	128.8825	0.993	2	128.8825	0.993	2	128.8825	0.993	2	128.8825	0.993	2
927	643	956	0:SP2_SP2_SP2	B[6a]	C[6a]	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N[6a]-3:N-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C[6a]-3:C[6a]-3:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2)	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H)	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]N)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	120.3215	0.083	2	120.3215	0.007	2	120.3215	0.007	2	120.3215	0.007	2	124.2090	12.821	6	124.2090	12.821	6
927	643	956	0:SP2_SP2_SP2	B[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-4:C-4:	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	C[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(H)	N(B[6a]C[6a]2)(CCCH)2	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(H){1|N<3>,2|H<1>}	N(B[6a]C[6a]2)(CCCH)2	126.5190	0.000	1	126.5190	0.000	1	126.5190	0.000	1	124.5275	7.932	2	124.2090	12.821	6	124.2090	12.821	6
927	643	956	0:SP2_SP2_SP2	B[6a]	C[6a]	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6a]-3:N-3:	B[6a]-3:N[6a]-3:H-1:	B[6a]-3:C-4:C-4:	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC)	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H)	N(B[6a]C[6a]2)(CCCH)2	B[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6a](B[6a]C[6a]N)(N[6a]C[6a]C)(H){1|C<3>,2|H<1>}	N(B[6a]C[6a]2)(CCCH)2	122.5360	0.000	1	122.5360	0.000	1	122.5360	0.000	1	124.5275	7.932	2	124.2090	12.821	6	124.2090	12.821	6
927	643	956	0:SP2_SP2_SP2	B[6a]	C[6a]	N	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:N[6a]-3:N-3:	B[6a]-3:B[6a]-3:C-4:	B[6a]-3:C-4:C-4:	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC)	C[6a](B[6a]N[6a]N)2(CH3)	N(B[6a]C[6a]N[6a])(CH3)2	B[6a](C[6a]B[6a]C)(N[6a]C[6a]2)(NCC){1|H<1>,2|C<3>,2|N<3>}	C[6a](B[6a]N[6a]N)2(CH3){3|C<3>}	N(B[6a]C[6a]N[6a])(CH3)2	127.7780	0.511	2	127.7780	0.261	2	127.7780	0.261	2	127.7780	0.261	2	124.2090	12.821	6	124.2090	12.821	6
927	643	983	0:SP2_SP1_SP2	B[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-2:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H)	C(B[6a]C[6a]N[6a])(CB[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(CB[6a])	126.1605	0.159	2	126.1605	0.025	2	126.8797	1.564	3	126.8797	1.564	3	126.8797	1.564	3	126.8797	1.564	3
927	643	983	0:SP2_SP1_SP2	B[6a]	C[6a]	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:N[6a]-3:C-2:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-2:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H)	C(B[6a]C[6a]N[6a])(CC[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]C)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(CC[6a])	128.3180	0.000	1	128.3180	0.000	1	126.8797	1.564	3	126.8797	1.564	3	126.8797	1.564	3	126.8797	1.564	3
927	643	992	0:SP2_SP2_SP3	B[6a]	C[6a]	P	3:3:4:	3:3:1:	3:4:4:4:	C[6a]-3:N[6a]-3:P-4:	B[6a]-3:C[6a]-3:H-1:	B[6a]-3:C-4:C-4:C-4:	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3)	C[6a](B[6a]N[6a]P)(C[6a]C[6a]H)(H)	P(B[6a]C[6a]N[6a])(CH3)3	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(PC3){1|C<3>,2|H<1>}	C[6a](B[6a]N[6a]P)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	P(B[6a]C[6a]N[6a])(CH3)3	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1	119.3550	0.000	1
927	727	727	0:SP2_SP2_SP2	B[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:C[3x6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a,6a]-3:	B[6a,6a](C[5a,6a]C[5a,6a]2)2(C[3x6a]C[3x6a]2)	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])	B[6a,6a](C[5a,6a]C[5a,6a]2)2(C[3x6a]C[3x6a]2){2|S<2>,8|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a]){8|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]C[3x6a])(C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a]){8|C<3>}	124.4320	0.000	1	124.4320	0.000	1	124.4320	0.000	1	125.7800	0.986	4	125.7800	0.986	4	125.7800	0.986	4
927	727	727	0:SP2_SP2_SP2	B[6a,6a]	C[5a,6a]	C[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:C[5a,6a]-3:N[6a,6a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	B[6a,6a]-3:C[5a,6a]-3:C[5a]-3:	B[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[6a,6a]C[5a,6a]2)	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H)	B[6a,6a](C[5a,6a]C[5a,6a]C[5a])2(N[6a,6a]C[5a,6a]2){2|H<1>,2|S<2>,6|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	C[5a,6a](B[6a,6a]C[5a,6a]N[6a,6a])(C[5a,6a]C[5a,6a]S[5a])(C[5a]C[5a]H){1|C<4>,1|S<2>,4|C<3>}	126.2293	0.517	3	126.2293	0.267	3	126.2293	0.267	3	125.7800	0.986	4	125.7800	0.986	4	125.7800	0.986	4
927	727	813	6:SP2_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	B[6a]-3:N[5a,6a]-3:N[5a]-3:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C)	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H)	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|B<3>,1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C){2|H<1>,5|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]H){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	112.5210	0.033	2	112.5210	0.001	2	112.6635	0.063	4	112.6635	0.063	4	112.6635	0.063	4	112.6635	0.063	4
927	727	813	6:SP2_SP2_SP2	B[6a]	C[5a,6a]	N[5a,6a]	3:3:3:	3:3:3:	3:3:3:	C[5a,6a]-3:N[5a,6a]-3:C[6a]-3:	B[6a]-3:N[5a,6a]-3:N[5a]-3:	B[6a]-3:C[5a,6a]-3:C[5a]-3:	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a])	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a])	B[6a](C[5a,6a]N[5a,6a]N[5a])(N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2){1|B<3>,1|N<3>,2|H<1>,7|C<3>}	C[5a,6a](B[6a]N[5a,6a]C[6a])(N[5a,6a]B[6a]C[5a])(N[5a]C[5a]C[6a]){9|C<3>}	N[5a,6a](B[6a]C[5a,6a]C[6a])(C[5a,6a]B[6a]N[5a])(C[5a]C[5a]C[6a]){2|N<3>,7|C<3>}	112.8060	0.327	2	112.8060	0.107	2	112.6635	0.063	4	112.6635	0.063	4	112.6635	0.063	4	112.6635	0.063	4
927	813	813	6:SP2_SP2_SP2	B[6,6,6a]	N[5a,6,6a]	N[5a,6,6]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:N[5a,6,6a]-3:N[5a,6,6]-3:	B[6,6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	B[6,6,6a]-3:C[5a,6]-3:C[5a,6]-3:	B[6,6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])2(N[5a,6,6]C[5a,6]2)	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	N[5a,6,6](B[6,6,6a]N[5a,6,6a]2)(C[5a,6]C[5a]C[6])2	B[6,6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])2(N[5a,6,6]C[5a,6]2){9|C<3>}	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	N[5a,6,6](B[6,6,6a]N[5a,6,6a]2)(C[5a,6]C[5a]C[6])2{2|H<1>,6|C<3>}	120.0408	0.354	4	120.0408	0.126	4	120.0408	0.126	4	120.0408	0.126	4	120.0408	0.126	4	119.9648	0.091	6
927	813	813	6:SP2_SP2_SP2	B[6,6,6a]	N[5a,6,6a]	N[5a,6,6a]	3:3:3:	3:3:3:	3:3:3:	N[5a,6,6a]-3:N[5a,6,6a]-3:N[5a,6,6]-3:	B[6,6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	B[6,6,6a]-3:C[5a,6a]-3:C[5a,6]-3:	B[6,6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])2(N[5a,6,6]C[5a,6]2)	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6])	B[6,6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])2(N[5a,6,6]C[5a,6]2){9|C<3>}	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	N[5a,6,6a](B[6,6,6a]N[5a,6,6a]N[5a,6,6])(C[5a,6a]C[5a]C[6a])(C[5a,6]C[5a]C[6]){2|H<1>,6|C<3>}	119.8130	0.099	2	119.8130	0.010	2	119.8130	0.010	2	119.8130	0.010	2	119.8130	0.010	2	119.9648	0.091	6
927	813	893	0:SP2_SP2_SP2	B[6a]	N[5,6a]	O	3:3:2:	3:3:3:	3:1:	C[6a,6a]-3:N[5,6a]-3:O-2:	C[5,6a]-3:B[6a]-3:C[5]-3:	B[6a]-3:H-1:	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH)	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O)	O(B[6a]C[6a,6a]N[5,6a])(H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(OH){1|H<1>,1|O<1>,5|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(B[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	O(B[6a]C[6a,6a]N[5,6a])(H)	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1	123.1480	0.000	1
927	856	933	0:SP2_SP2_SP2	B[6a]	N[6]	O[6a]	2:2:3:	3:3:3:	3:3:	O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-3:C[6]-3:C[6]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2)	N[6](B[6a]O[6a]2)(C[6]C[6]C)2	O[6a](B[6a]O[6a]N[6])2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|O<2>}	N[6](B[6a]O[6a]2)(C[6]C[6]C)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]O[6a]N[6])2{1|B<4>,4|C<3>}	115.2555	0.196	2	115.2555	0.038	2	116.1567	0.748	6	116.1567	0.748	6	117.6446	3.530	12	117.6446	3.530	12
927	856	933	0:SP2_SP2_SP2	B[6a]	N[6]	O[6a]	2:2:3:	3:3:3:	3:3:	O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-3:C[6]-3:C[6]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(N[6]C[6]2)	N[6](B[6a]O[6a]2)(C[6]C[6]H)2	O[6a](B[6a]O[6a]N[6])2	B[6a](O[6a]B[6a])2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	N[6](B[6a]O[6a]2)(C[6]C[6]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]O[6a]N[6])2{1|B<4>,4|C<3>}	116.6072	0.649	4	116.6072	0.421	4	116.1567	0.748	6	116.1567	0.748	6	117.6446	3.530	12	117.6446	3.530	12
927	856	933	0:SP2_SP2_SP2	B[6a]	N[6]	O[6a]	2:2:3:	3:3:3:	4:3:	O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-3:C[6]-3:C[6]-3:	B[6a,6a]-4:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2)	N[6](B[6a]O[6a]2)(C[6]C[6]C)2	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6])	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|O<2>}	N[6](B[6a]O[6a]2)(C[6]C[6]C)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6]){2|C<3>,3|B<3>}	119.6685	0.459	2	119.6685	0.211	2	119.6685	0.211	2	119.1325	1.705	6	117.6446	3.530	12	117.6446	3.530	12
927	856	933	0:SP2_SP2_SP2	B[6a]	N[6]	O[6a]	2:2:3:	3:3:3:	4:3:	O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-3:C[6]-3:C[6]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(N[6]C[6]2)	N[6](B[6a]O[6a]2)(C[6]C[6]H)2	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6])	B[6a](O[6a]B[6a])2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	N[6](B[6a]O[6a]2)(C[6]C[6]H)2{1|B<3>,1|B<4>,1|C<3>,2|H<1>}	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6]){1|B<3>,6|C<3>}	118.8645	1.576	4	118.8645	2.485	4	118.8645	2.485	4	119.1325	1.705	6	117.6446	3.530	12	117.6446	3.530	12
927	863	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:1:	3:	3:3:	O[6a]-2:O[6a]-2:O-1:	B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O)	O(B[6a]O[6a]2)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O){4|O<2>}	O(B[6a]O[6a]2)	O[6a](B[6a]O[6a]O)2{1|B<4>}	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	119.5600	34.379	2	119.5600	34.379	2
927	863	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:1:	3:	4:3:	O[6a]-2:O[6a]-2:O-1:	B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O)	O(B[6a]O[6a]2)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O){4|O<2>}	O(B[6a]O[6a]2)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	123.7060	0.000	1	123.7060	0.000	1	123.7060	0.000	1	123.7060	0.000	1	119.5600	34.379	2	119.5600	34.379	2
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH){1|C<4>,3|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2{1|B<4>}	115.2855	0.117	2	115.2855	0.014	2	117.6414	3.988	184	117.6414	3.988	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2{1|B<4>}	118.0486	1.997	9	118.0486	3.988	9	117.6414	3.988	184	117.6414	3.988	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){1|O<1>,3|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2{1|B<4>}	118.3110	0.000	1	117.6399	4.007	169	117.6414	3.988	184	117.6414	3.988	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2{1|B<4>}	117.6359	2.007	168	117.6399	4.007	169	117.6414	3.988	184	117.6414	3.988	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OH){4|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]O)2{1|B<4>}	117.9670	1.966	4	117.9670	3.867	4	117.6414	3.988	184	117.6414	3.988	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[5,6a]-4:B[6a]-3:	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O)	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH){1|C<4>,3|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O){1|B<3>,1|H<1>,1|N<4>,2|C<3>}	123.3280	0.973	2	123.3280	0.947	2	123.3280	0.947	2	121.2533	4.051	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6,6a]-4:B[6a]-3:	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	120.6326	2.127	10	120.6326	4.523	10	120.6326	4.523	10	121.2533	4.051	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a,6a]-4:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){1|O<1>,3|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	120.2980	0.000	1	121.2918	3.959	168	121.2918	3.959	168	121.2533	4.051	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a,6a]-4:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	121.2977	1.994	167	121.2918	3.959	168	121.2918	3.959	168	121.2533	4.051	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:1:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OH)	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OH){4|O<2>}	O(B[6a]O[6a]2)(H)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	120.1497	2.643	4	120.1497	6.983	4	120.1497	6.983	4	121.2533	4.051	184	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a])	O(B[6a]O[6a]2)2	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	O(B[6a]O[6a]2)2	O[6a](B[6a]O[6a]O)2{1|B<4>}	115.2012	0.950	6	115.2012	0.902	6	115.2012	0.902	6	117.5664	9.571	16	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(OB[6a])	O(B[6a]O[6a]2)2	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	B[6a](O[6a]C[6a,6a])2(OB[6a]){3|C<3>}	O(B[6a]O[6a]2)2	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	118.2315	2.192	4	118.2315	4.806	4	118.2315	4.806	4	117.5664	9.571	16	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:C[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(OC[6a])	O(B[6a]O[6a]2)(C[6a]C[6a]2)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OC[6a]){4|O<2>}	O(B[6a]O[6a]2)(C[6a]C[6a]2)	O[6a](B[6a]O[6a]O)2{1|B<4>}	115.7770	4.333	2	115.7770	18.776	2	115.7770	18.776	2	117.5664	9.571	16	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:Ge[6]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(OGe[6])	O(B[6a]O[6a]2)(Ge[6]N[6]2)	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OGe[6]){1|C<3>,2|O<2>}	O(B[6a]O[6a]2)(Ge[6]N[6]2)	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O){1|B<3>,2|C<3>}	121.7490	2.083	2	121.7490	4.339	2	121.3438	2.350	4	117.5664	9.571	16	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:Ge[6]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(OGe[6])	O(B[6a]O[6a]2)(Ge[6]N[6]2)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OGe[6]){1|C<3>,2|O<2>}	O(B[6a]O[6a]2)(Ge[6]N[6]2)	O[6a](B[6a]O[6a]O)2{1|B<3>}	120.9385	1.433	2	120.9385	2.054	2	121.3438	2.350	4	117.5664	9.571	16	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:3:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:B[6a]-3:	B[6,6a]-4:B[6a]-3:	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a])	O(B[6a]O[6a]2)2	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	O(B[6a]O[6a]2)2	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	123.0873	0.827	6	123.0873	0.684	6	123.0873	0.684	6	122.7015	3.624	8	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:3:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:C[6a]-3:	B[6a]-4:B[6a]-3:	B[6a](O[6a]B[6a])2(OC[6a])	O(B[6a]O[6a]2)(C[6a]C[6a]2)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	B[6a](O[6a]B[6a])2(OC[6a]){4|O<2>}	O(B[6a]O[6a]2)(C[6a]C[6a]2)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	121.5440	4.286	2	121.5440	18.374	2	121.5440	18.374	2	122.7015	3.624	8	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:4:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:C-4:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC)	O(B[6a]O[6a]2)(CH3)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC){4|O<2>}	O(B[6a]O[6a]2)(CH3)	O[6a](B[6a]O[6a]O)2{1|B<4>}	115.1732	1.866	4	115.1732	3.481	4	115.1732	3.481	4	116.8360	8.157	9	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:4:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:C-4:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(OC)	O(B[6a]O[6a]2)(CH3)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	B[6a](O[6a]C[6a,6a])2(OC){3|C<3>}	O(B[6a]O[6a]2)(CH3)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	118.1662	2.954	5	118.1662	8.726	5	118.1662	8.726	5	116.8360	8.157	9	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	3:4:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:C-4:	B[6a,6a]-4:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC)	O(B[6a]O[6a]2)(CH3)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC){4|O<2>}	O(B[6a]O[6a]2)(CH3)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	122.3575	2.110	4	122.3575	4.451	4	122.3575	4.451	4	122.3575	4.451	4	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a])	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O[6a](B[6a]O[6a]O)2{1|B<4>}	118.2990	0.000	1	118.2990	0.000	1	118.2990	0.000	1	118.2990	0.000	1	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:2:2:	4:3:	4:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-4:B[6a]-3:	B[6a,6a]-4:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a])	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	O(B[6a]O[6a]2O)(B[6a]O[6a]2)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	2:3:2:	3:1:	3:3:	O[6a]-2:C[6a]-3:O-2:	B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH)	O(B[6a]C[6a]O[6a])(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O)	B[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OH){1|H<1>,2|C<3>}	O(B[6a]C[6a]O[6a])(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a]O){2|H<1>,3|C<3>}	116.5865	2.647	2	116.5865	7.005	2	116.5865	7.005	2	116.5865	7.005	2	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	3:2:2:	3:1:	3:2:	C[6a,6a]-3:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:N[6a]-2:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a])	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){1|H<1>,3|C<3>}	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]){1|H<1>,2|C<3>}	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	118.0410	0.000	1	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	3:2:2:	3:1:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]2)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|H<1>,4|C<3>}	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]2){1|Cl<1>,4|C<3>}	117.6370	0.526	2	117.6370	0.277	2	118.1015	0.380	4	118.1968	0.533	9	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	3:2:2:	3:1:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:C[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH)	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a])(OH){1|C<4>,1|H<1>,3|C<3>}	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(C[6a]C[6a]C){1|N<3>,2|C<3>}	118.5660	0.000	2	118.5660	0.000	2	118.1015	0.380	4	118.1968	0.533	9	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	3:2:2:	3:1:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	B[6a]-3:H-1:	B[6a]-3:N[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH)	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]N[6a])(OH){2|H<1>,3|C<3>}	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](B[6a]C[6a,6a]O)(N[6a]C[6a]H){1|O<1>,2|C<3>}	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	118.1968	0.533	9	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	3:2:2:	3:1:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	B[6a]-3:H-1:	C[6a,6a]-3:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH)	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OH){1|H<1>,4|C<3>}	O(B[6a]C[6a,6a]O[6a])(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O){1|H<1>,4|C<3>}	118.2523	1.009	4	118.2523	1.018	4	118.2523	1.018	4	118.1968	0.533	9	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:O[6a]-2:O-2:	B[6a]-3:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a])	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]C[6a,6a])(OC[6a]){1|H<1>,4|C<3>}	O(B[6a]C[6a,6a]O[6a])(C[6a]C[6a]2)	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[6a,6a]O){1|H<1>,4|C<3>}	120.9128	2.542	4	120.9128	6.462	4	120.9128	6.462	4	120.9128	6.462	4	119.3874	7.649	424	119.3874	7.649	424
927	893	933	0:SP2_SP2_SP2	B[6a]	O	O[6a]	3:2:2:	3:4:	4:3:	C[6a,6a]-3:O[6a]-2:O-2:	B[6a]-3:C-4:	B[6,6a]-4:B[6a]-3:	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC)	O(B[6a]C[6a,6a]O[6a])(CH3)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O)	B[6a](C[6a,6a]C[6a,6a]C[6a])(O[6a]B[6,6a])(OC){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	O(B[6a]C[6a,6a]O[6a])(CH3)	O[6a](B[6,6a]C[6,6a]N[6,6a]O)(B[6a]C[6a,6a]O){5|C<3>}	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	121.6790	0.000	1	119.3874	7.649	424	119.3874	7.649	424
927	929	929	0:SP2_SP2_SP2	B[6a,6a]	S[6a]	S[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:S[6a]-2:S[6a]-2:	C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a])	B[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])2{6|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a]){1|H<1>,5|C<3>}	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a]){1|H<1>,5|C<3>}	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1	112.8140	0.000	1
927	933	933	0:SP2_SP2_SP2	B[6a,6a]	O[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:O[6a]-2:O[6a]-2:	C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:B[6a,6a]-3:	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a])	B[6a,6a](C[3x6a]C[6a,6a]2)(O[6a]C[6a,6a])2{6|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]O[6a]){1|H<1>,5|C<3>}	117.1244	0.688	5	117.1244	0.473	5	117.1244	0.473	5	117.1244	0.473	5	117.1244	0.473	5	117.1244	0.473	5
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:1:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-1:	B[6a,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(O){4|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(OGe[6])	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OGe[6]){1|C<3>,2|O<2>}	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O){1|B<3>,2|C<3>}	O[6a](B[6a]O[6a]O)2{1|B<3>}	117.3015	0.664	2	117.3015	0.441	2	117.3015	0.441	2	121.3294	7.861	7	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(OB[6a])	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	B[6a](O[6a]C[6a,6a])2(OB[6a]){3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	123.4705	0.394	2	123.4705	0.155	2	122.9406	0.324	5	121.3294	7.861	7	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	3:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(OC)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O)	B[6a](O[6a]C[6a,6a])2(OC){3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]O[6a]O){1|H<1>,3|C<3>}	122.5873	0.321	3	122.5873	0.103	3	122.9406	0.324	5	121.3294	7.861	7	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[5,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH)	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[5,6a])(O[6a]B[6a])(OH){1|C<4>,3|O<2>}	O[6a](B[5,6a]O[6a]C[5]O[5])(B[6a]O[6a]O){1|B<3>,1|H<1>,1|N<4>,2|C<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	121.3845	0.853	2	121.3845	0.728	2	121.3845	0.728	2	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a])	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	121.7050	0.574	6	121.7050	0.330	6	121.5606	0.361	16	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH)	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6,6a])(O[6a]B[6a])(OH){4|O<2>}	O[6a](B[6,6a]O[6a]O[6]2)(B[6a]O[6a]O){1|B<4>,2|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	121.4739	0.629	10	121.4739	0.396	10	121.5606	0.361	16	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a])	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OB[6a]){4|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	120.2780	0.000	1	120.2780	0.000	1	121.0689	0.313	173	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OC){4|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	122.4620	0.347	4	122.4620	0.121	4	121.0689	0.313	173	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){1|O<1>,3|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	121.3810	0.000	1	121.0404	0.269	168	121.0689	0.313	173	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(OH){4|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]O){3|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	121.0384	0.520	167	121.0404	0.269	168	121.0689	0.313	173	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(OC[6a])	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OC[6a]){4|O<2>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	122.6735	0.053	2	122.6735	0.003	2	122.1127	0.620	6	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:2:	4:3:	3:3:	O[6a]-2:O[6a]-2:O-2:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(OH)	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O)	O[6a](B[6a]O[6a]O)2	B[6a](O[6a]B[6a])2(OH){4|O<2>}	O[6a](B[6a]O[6a]OO)(B[6a]O[6a]O){1|B<3>}	O[6a](B[6a]O[6a]O)2{1|B<4>}	121.8323	0.847	4	121.8323	0.718	4	122.1127	0.620	6	121.1438	0.370	197	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:3:	3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	122.7613	0.454	3	122.5305	0.211	6	122.5305	0.211	6	122.5305	0.211	6	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:3:	3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|H<1>,5|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	122.3720	0.539	2	122.5305	0.211	6	122.5305	0.211	6	122.5305	0.211	6	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:3:	3:3:	3:3:	O[6a]-2:O[6a]-2:C[6a]-3:	C[6a,6a]-3:B[6a]-3:	C[6a,6a]-3:B[6a]-3:	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2)	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a])	B[6a](O[6a]C[6a,6a])2(C[6a]C[6a]2){2|O<2>,5|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	O[6a](C[6a,6a]C[3x6a]C[6a])(B[6a]C[6a]O[6a]){1|H<1>,5|C<3>}	122.1550	0.000	1	122.5305	0.211	6	122.5305	0.211	6	122.5305	0.211	6	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:3:	4:3:	3:3:	O[6a]-2:O[6a]-2:N[6]-3:	B[6a,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2)	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6])	O[6a](B[6a]O[6a]N[6])2	B[6a](O[6a]B[6a,6a])(O[6a]B[6a])(N[6]C[6]2){1|N<3>,2|C<3>,2|C<4>,3|O<2>}	O[6a](B[6a,6a]O[6a]3)(B[6a]O[6a]N[6]){2|C<3>,3|B<3>}	O[6a](B[6a]O[6a]N[6])2{1|B<4>,4|C<3>}	125.0675	0.254	2	125.0675	0.064	2	125.0675	0.064	2	124.5483	1.101	6	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:3:	4:3:	3:3:	O[6a]-2:O[6a]-2:N[6]-3:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(N[6]C[6]2)	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6])	O[6a](B[6a]O[6a]N[6])2	B[6a](O[6a]B[6a])2(N[6]C[6]2){1|O<2>,2|C<3>,2|H<1>,3|N<3>}	O[6a](B[6a]O[6a]N[6]2)(B[6a]O[6a]N[6]){1|B<3>,6|C<3>}	O[6a](B[6a]O[6a]N[6])2{1|B<4>,4|C<3>}	124.2887	1.243	4	124.2887	1.544	4	124.2887	1.544	4	124.5483	1.101	6	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:2:4:	3:3:	3:3:	O[6a]-2:O[6a]-2:C-4:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a])2(CC[6a]3)	O[6a](B[6a]O[6a]C)2	O[6a](B[6a]O[6a]C)2	B[6a](O[6a]B[6a])2(CC[6a]3){1|O<2>,2|C<4>}	O[6a](B[6a]O[6a]C)2{1|B<3>}	O[6a](B[6a]O[6a]C)2{1|B<3>}	118.2410	0.565	4	118.2410	0.319	4	118.2410	0.319	4	118.2410	0.319	4	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:3:2:	3:4:	3:3:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:B[6a,6a]-4:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|C<4>,3|C<3>,3|O<2>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	120.5990	1.180	4	120.9612	0.773	16	120.9612	0.773	16	120.9612	0.773	16	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:3:2:	3:4:	3:3:	O[6a]-2:C[6a]-3:O[6a]-2:	B[6a]-3:B[6a,6a]-4:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3)	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[6a,6a])(C[6a]C[6a]2)(O[6a]B[6a]){2|H<1>,3|C<3>,3|O<2>}	O[6a](B[6a]C[6a]O[6a])(B[6a,6a]O[6a]3){2|C<3>,3|B<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	121.0819	0.782	12	120.9612	0.773	16	120.9612	0.773	16	120.9612	0.773	16	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	2:3:2:	4:3:	3:3:	O[6a]-2:C[6a]-3:O[6a]-2:	B[5,6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a])	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a])2	B[6a](O[6a]B[5,6a])(C[6a]C[6a]2)(O[6a]B[6a]){1|N<4>,1|O<2>,2|H<1>,4|C<3>}	O[6a](B[5,6a]C[5,6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,3|C<4>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	120.8475	0.365	6	120.8475	0.133	6	120.8475	0.133	6	120.8475	0.133	6	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O)	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O)	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|C<3>,2|C<4>,3|O<2>}	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O){1|B<3>,2|C<3>}	O[6a](B[6a]C[6a]O[6a])(B[6a]O[6a]O){1|B<3>,2|C<3>}	119.0490	0.000	1	119.0490	0.000	1	119.0018	0.268	30	119.0018	0.268	30	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	118.4087	0.557	3	119.0002	0.277	29	119.0018	0.268	30	119.0018	0.268	30	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|H<1>,1|O<2>,5|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	118.4755	0.297	6	119.0002	0.277	29	119.0018	0.268	30	119.0018	0.268	30	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|F<1>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	119.8045	0.011	2	119.0002	0.277	29	119.0018	0.268	30	119.0018	0.268	30	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a])2	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<3>,4|C<3>}	119.1843	0.351	18	119.0002	0.277	29	119.0018	0.268	30	119.0018	0.268	30	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	4:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]N)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	121.5617	0.264	6	121.5617	0.070	6	121.1884	0.210	12	121.1884	0.210	12	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	4:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]N[5])(B[6a]C[6a]O[6a]){1|B<3>,1|N<3>,5|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	120.7180	0.327	2	120.7180	0.107	2	121.1884	0.210	12	121.1884	0.210	12	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	4:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]N[6])(B[6a]C[6a]O[6a]){1|B<3>,6|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	120.8630	0.349	2	120.8630	0.122	2	121.1884	0.210	12	121.1884	0.210	12	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	3:2:2:	4:3:	3:3:	C[6a]-3:O[6a]-2:O[6a]-2:	B[6a]-4:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a])	O[6a](B[6a]C[6a]O[6a])2	B[6a](C[6a]C[6a]2)(O[6a]B[6a])2{2|H<1>,2|O<2>,4|C<3>}	O[6a](B[6a]C[6a]O[6a]O)(B[6a]C[6a]O[6a]){1|B<3>,4|C<3>}	O[6a](B[6a]C[6a]O[6a])2{1|B<4>,4|C<3>}	120.8645	0.173	2	120.8645	0.030	2	121.1884	0.210	12	121.1884	0.210	12	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	4:2:2:	3:3:	3:3:	C[5]-4:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[5]C[5]2Fe)(O[6a]B[6a])2	O[6a](B[6a]O[6a]C[5])2	O[6a](B[6a]O[6a]C[5])2	B[6a](C[5]C[5]2Fe)(O[6a]B[6a])2{1|O<2>,2|H<1>,4|C<4>}	O[6a](B[6a]O[6a]C[5])2{2|Fe<10>,1|B<3>,4|C<4>}	O[6a](B[6a]O[6a]C[5])2{2|Fe<10>,1|B<3>,4|C<4>}	119.3809	0.771	28	119.3809	0.595	28	119.3809	0.595	28	119.2733	0.651	31	120.8013	1.569	316	120.8013	1.569	316
927	933	933	6:SP2_SP2_SP2	B[6a]	O[6a]	O[6a]	4:2:2:	3:3:	3:3:	C[6]-4:O[6a]-2:O[6a]-2:	B[6a]-3:B[6a]-3:	B[6a]-3:B[6a]-3:	B[6a](C[6]C[6]2H)(O[6a]B[6a])2	O[6a](B[6a]O[6a]C[6])2	O[6a](B[6a]O[6a]C[6])2	B[6a](C[6]C[6]2H)(O[6a]B[6a])2{1|O<2>,2|H<1>,6|C<4>}	O[6a](B[6a]O[6a]C[6])2{1|B<3>,2|H<1>,4|C<4>}	O[6a](B[6a]O[6a]C[6])2{1|B<3>,2|H<1>,4|C<4>}	118.2683	0.237	3	118.2683	0.056	3	118.2683	0.056	3	119.2733	0.651	31	120.8013	1.569	316	120.8013	1.569	316
928	490	542	0:SPD6_SP2_SP3	Si[5,6,6]	C	N[5,6]	3:3:2:2:4:2:	6:1:1:1:	6:3:4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:H-1:H-1:H-1:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	94.0961	2.147	2	94.0961	4.610	2	94.0961	4.610	2	94.0961	4.610	2	94.0961	4.610	2	94.0961	4.610	2
928	490	622	0:SPD6_SP2_SP3	Si[5,6,6]	C	O[6]	3:3:2:2:4:2:	6:1:1:1:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:H-1:H-1:H-1:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	95.4597	1.821	2	95.4597	3.316	2	95.4597	3.316	2	95.4597	3.316	2	95.4597	3.316	2	95.4597	3.316	2
928	490	941	0:SPD6_SP2_SP3	Si[5,6,6]	C	N	3:3:2:2:4:2:	6:1:1:1:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:H-1:H-1:H-1:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	C(Si[5,6,6]N[5,6]2O[6]2N)(H)3	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	175.8370	0.000	1	175.8370	0.000	1	175.8370	0.000	1	175.8370	0.000	1	175.8370	0.000	1	175.8370	0.000	1
928	542	542	0:SPD6_SP2_SP2	Si[3x5]	N[5,6]	N[5,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	89.1267	0.000	1	89.1267	0.000	1	89.1267	0.000	1	89.1267	0.000	1	89.1267	0.000	1	102.9253	1173.085	6
928	542	542	0:SPD6_SP2_SP2	Si[5,5]	N[5,6]	N[5,6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2{4|H<1>,8|C<3>}	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	110.2559	41.710	4	110.2559	1739.695	4	110.2559	1739.695	4	110.2559	1739.695	4	110.2559	1739.695	4	102.9253	1173.085	6
928	542	542	0:SPD6_SP2_SP2	Si[5,6]	N[5,6]	N[5]	3:3:3:2:2:3:	6:3:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6]-6:C[5]-3:C[5]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,8|C<3>}	87.4014	0.000	1	87.4014	0.000	1	87.4014	0.000	1	87.4014	0.000	1	87.4014	0.000	1	102.9253	1173.085	6
928	542	542	5:SPD6_SP2_SP2	Si[3x5]	N[5,5]	N[5,5]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	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)	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)	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	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>}	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>}	82.1245	0.360	4	82.1245	0.129	4	82.1245	0.129	4	82.1245	0.129	4	82.1245	0.129	4	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5,5]	N[5,6]	N[5,6]	3:3:3:3:1:1:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2{4|H<1>,8|C<3>}	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	83.0772	0.033	2	83.0772	0.001	2	83.0772	0.001	2	83.0772	0.001	2	110.6455	2280.029	3	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5,5]	N[5,6]	N[5,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)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)	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)	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<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>}	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>}	165.7820	0.000	1	165.7820	0.000	1	165.7820	0.000	1	165.7820	0.000	1	110.6455	2280.029	3	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5,5]	N[5]	N[5]	3:3:2:2:1:1:	6:3:3:	6:3:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Br-1:Br-1:	Si[5,5]-6:N[5]-3:C-3:	Si[5,5]-6:N[5]-3:C-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC)	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2{2|C<3>,2|H<1>}	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC){1|N<3>,3|C<3>}	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC){1|N<3>,3|C<3>}	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	N[5,6]	3:3:2:2:2:2:	6:3:4:	6:3:4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	84.2863	0.387	2	84.2863	0.149	2	84.2863	0.149	2	84.2863	0.149	2	83.1137	4.097	4	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	N[5,6]	3:3:2:2:4:2:	6:3:4:	6:3:4:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	83.7632	0.000	1	83.7632	0.000	1	83.7632	0.000	1	83.7632	0.000	1	83.1137	4.097	4	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	N[5,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){12|C<3>,1|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){10|C<3>,1|H<1>}	80.1188	0.000	1	80.1188	0.000	1	80.1188	0.000	1	80.1188	0.000	1	83.1137	4.097	4	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5,6,6]	N[5]	N[5]	3:3:2:2:3:3:	6:3:4:	6:3:4:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	86.0921	0.192	2	86.0921	0.037	2	86.0921	0.037	2	86.0921	0.037	2	86.0921	0.037	2	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:1:1:1:1:	3:6:3:	3:6:3:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H)	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	81.8381	0.000	1	81.8381	0.000	1	81.8381	0.000	1	81.8381	0.000	1	81.2152	1.417	8	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:1:1:1:1:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:H-1:H-1:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2{2|H<1>,4|C<3>}	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>}	79.0281	0.000	1	79.0281	0.000	1	79.0281	0.000	1	79.0281	0.000	1	81.2152	1.417	8	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:2:1:1:1:	3:6:3:	3:6:3:	N[5,6]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6]-3:Si[5]-6:C[6]-3:	C[5,6]-3:Si[5]-6:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H)	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3{2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H){2|H<1>,3|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H){2|H<1>,3|C<3>}	79.7735	0.000	1	79.7735	0.000	1	79.7735	0.000	1	79.7735	0.000	1	81.2152	1.417	8	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:2:2:2:2:	3:6:3:	3:6:3:	N[5,6]-3:N[5,6]-3:N-2:N-2:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H)	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H){1|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H){1|H<1>,4|C<3>}	81.2212	0.000	1	81.2212	0.000	1	81.2212	0.000	1	81.2212	0.000	1	81.2152	1.417	8	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:3:3:2:2:	3:6:3:	3:6:3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H)	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H)	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	82.4770	0.000	1	82.4770	0.000	1	82.4770	0.000	1	82.4770	0.000	1	81.2152	1.417	8	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	81.6483	0.000	1	81.6483	0.000	1	81.7947	0.034	3	81.7947	0.034	3	81.2152	1.417	8	90.6725	716.054	22
928	542	542	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	81.8679	0.187	2	81.8679	0.035	2	81.7947	0.034	3	81.7947	0.034	3	81.2152	1.417	8	90.6725	716.054	22
928	542	542	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	N[5,6]	3:3:2:2:2:2:	6:4:3:	6:4:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[5]-4:C[6]-3:	Si[5,6,6]-6:C[5]-4:C[6]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C)	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	85.1243	0.000	1	85.1243	0.000	1	85.1243	0.000	1	85.1243	0.000	1	85.1243	0.000	1	85.1243	0.000	1
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	173.9010	0.000	1	142.9511	2701.146	3	128.2809	2396.121	6	128.2809	2396.121	6	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	127.4762	62.972	2	142.9511	2701.146	3	128.2809	2396.121	6	128.2809	2396.121	6	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	128.5602	62.818	2	113.6106	2643.504	3	128.2809	2396.121	6	128.2809	2396.121	6	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	83.7113	0.000	1	113.6106	2643.504	3	128.2809	2396.121	6	128.2809	2396.121	6	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:4:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	177.0408	1.789	4	177.0408	3.202	4	177.0408	3.202	4	177.0408	3.202	4	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:4:2:	6:3:4:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	169.8980	3.574	2	169.8980	12.771	2	169.8980	12.771	2	169.8980	12.771	2	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:3:2:2:	6:3:3:	6:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){12|C<3>,1|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	172.5160	0.000	1	172.5160	0.000	1	171.7800	1.083	2	171.7800	1.083	2	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:3:2:2:	6:3:3:	6:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){10|C<3>,1|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	171.0440	0.000	1	171.0440	0.000	1	171.7800	1.083	2	171.7800	1.083	2	154.3717	1479.402	14	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6,6]	N[5]	O[6]	3:3:2:2:3:3:	6:3:4:	6:3:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<4>,7|C<3>}	134.6592	45.212	8	134.6592	2044.164	8	134.6592	2044.164	8	134.6592	2044.164	8	134.6592	2044.164	8	144.5689	1774.178	23
928	542	622	0:SPD6_SP2_SP2	Si[5,6]	N[5]	O[6]	3:3:3:2:2:3:	6:3:3:	6:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5]-3:C[5]-3:	Si[5,6]-6:C[5,6]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H)	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,8|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	86.6071	0.000	1	86.6071	0.000	1	86.6071	0.000	1	86.6071	0.000	1	86.6071	0.000	1	144.5689	1774.178	23
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	92.4110	0.000	1	91.8737	0.607	3	91.8737	0.607	3	91.8737	0.607	3	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	90.9798	0.000	1	91.8737	0.607	3	91.8737	0.607	3	91.8737	0.607	3	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	92.2302	0.000	1	91.8737	0.607	3	91.8737	0.607	3	91.8737	0.607	3	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:3:4:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	92.9647	1.572	4	92.9647	2.470	4	92.9647	2.470	4	92.9647	2.470	4	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:2:2:	6:4:3:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[5]-4:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	136.3858	59.913	2	136.3858	3589.620	2	136.3858	3589.620	2	136.3858	3589.620	2	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:2:2:4:2:	6:3:4:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	92.6232	0.669	2	92.6232	0.448	2	92.6232	0.448	2	92.6232	0.448	2	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:3:2:2:	6:3:3:	6:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){12|C<3>,1|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	91.7125	0.000	1	91.7125	0.000	1	92.0859	0.279	2	92.0859	0.279	2	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	O[6]	3:3:3:3:2:2:	6:3:3:	6:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){10|C<3>,1|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	92.4593	0.000	1	92.4593	0.000	1	92.0859	0.279	2	92.0859	0.279	2	99.2054	572.401	13	98.5426	534.519	14
928	542	622	6:SPD6_SP2_SP2	Si[5,6]	N[5,6]	O[6]	3:3:3:2:2:3:	6:3:3:	6:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6]-6:C[5,6]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	89.9273	0.000	1	89.9273	0.000	1	89.9273	0.000	1	89.9273	0.000	1	89.9273	0.000	1	98.5426	534.519	14
928	542	643	0:SPD6_SP2_SP2	Si[3x5]	N[5,5]	C[6a]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	Si[3x5]-6:C[6a]-3:C[6a]-3:	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	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[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	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[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2{11|C<3>,2|H<1>}	91.1133	1.412	16	91.1133	1.995	16	91.1133	1.995	16	91.1133	1.995	16	91.1133	1.995	16	94.8034	297.717	25
928	542	643	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	C[6a]	3:3:2:2:2:2:	6:3:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	96.5372	0.000	1	96.8006	0.366	3	96.8006	0.366	3	96.8006	0.366	3	92.2524	19.508	7	94.8034	297.717	25
928	542	643	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	C[6a]	3:3:2:2:2:2:	6:3:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	96.3722	0.000	1	96.8006	0.366	3	96.8006	0.366	3	96.8006	0.366	3	92.2524	19.508	7	94.8034	297.717	25
928	542	643	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	C[6a]	3:3:2:2:2:2:	6:3:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	97.4924	0.000	1	96.8006	0.366	3	96.8006	0.366	3	96.8006	0.366	3	92.2524	19.508	7	94.8034	297.717	25
928	542	643	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	C[6a]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]){12|C<3>,1|H<1>}	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	89.1354	1.472	2	89.1354	2.166	2	88.8412	2.572	4	88.8412	2.572	4	92.2524	19.508	7	94.8034	297.717	25
928	542	643	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	C[6a]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H)	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	N[5,6](Si[5,6,6]N[5,6]C[6a]2O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]H){10|C<3>,1|H<1>}	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	88.5470	2.281	2	88.5470	5.204	2	88.8412	2.572	4	88.8412	2.572	4	92.2524	19.508	7	94.8034	297.717	25
928	542	643	0:SPD6_SP2_SP2	Si[5,6]	N[5,6]	C[6a]	3:3:3:2:2:3:	6:3:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6]-6:C[6a]-3:C[6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	176.7160	0.000	1	176.7160	0.000	1	176.7160	0.000	1	176.7160	0.000	1	176.7160	0.000	1	94.8034	297.717	25
928	542	643	0:SPD6_SP2_SP2	Si[5,6]	N[5]	C[6a]	3:3:3:2:2:3:	6:3:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5]-3:C[5]-3:	Si[5,6]-6:C[6a]-3:C[6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H)	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,8|C<3>}	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	89.7906	0.000	1	89.7906	0.000	1	89.7906	0.000	1	89.7906	0.000	1	89.7906	0.000	1	94.8034	297.717	25
928	542	790	0:SPD6_SP-NON_SP2	Si[5,5]	N[5,6]	Cl	3:3:3:3:1:1:	6:3:3:	6:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5]-6:	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Cl(Si[5,5]N[5,6]4Cl)	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2{4|H<1>,8|C<3>}	N[5,6](Si[5,5]N[5,6]3Cl2)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,7|C<3>}	Cl(Si[5,5]N[5,6]4Cl)	112.6048	38.706	8	112.6048	1498.142	8	112.6048	1498.142	8	112.6048	1498.142	8	112.6048	1498.142	8	107.1491	1248.548	24
928	542	790	0:SPD6_SP-NON_SP2	Si[5]	N[5,6]	Cl	3:3:1:1:1:1:	3:6:3:	6:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H)	Cl(Si[5]N[5,6]2Cl3)	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	Cl(Si[5]N[5,6]2Cl3)	109.8254	39.366	8	109.8254	1549.664	8	109.8254	1549.664	8	109.9099	1493.165	12	104.4212	1191.495	16	107.1491	1248.548	24
928	542	790	0:SPD6_SP-NON_SP2	Si[5]	N[5,6]	Cl	3:3:1:1:1:1:	3:6:3:	6:	N[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H)	Cl(Si[5]N[5,6a]N[5,6]Cl3)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	Cl(Si[5]N[5,6a]N[5,6]Cl3)	110.0789	43.116	4	110.0789	1858.997	4	110.0789	1858.997	4	109.9099	1493.165	12	104.4212	1191.495	16	107.1491	1248.548	24
928	542	790	0:SPD6_SP-NON_SP2	Si[5]	N[5,6]	Cl	3:3:1:1:1:1:	6:3:3:	6:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:H-1:H-1:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	Cl(Si[5]N[5,6]2ClHH)	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2{2|H<1>,4|C<3>}	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>}	Cl(Si[5]N[5,6]2ClHH)	87.9553	0.728	4	87.9553	0.530	4	87.9553	0.530	4	87.9553	0.530	4	104.4212	1191.495	16	107.1491	1248.548	24
928	542	813	0:SPD6_SP2_SP2	Si[3x5]	N[5,5]	N[5,5a]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	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)	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	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>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	165.5469	0.653	8	165.5469	0.427	8	165.5469	0.427	8	165.5469	0.427	8	165.5469	0.427	8	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[3x5]	N[5,6]	N[5,6a]	3:3:3:3:2:2:	6:3:3:	3:6:3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	90.4380	0.286	2	90.4380	0.082	2	90.4380	0.082	2	90.4380	0.082	2	90.4380	0.082	2	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5,6]	N[5,6]	N[5a]	3:3:3:2:2:3:	6:3:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	88.9895	0.000	1	88.9895	0.000	1	88.9895	0.000	1	88.9895	0.000	1	88.9895	0.000	1	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5,6]	N[5]	N[5a]	3:3:3:2:2:3:	6:3:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5]-3:C[5]-3:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H)	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,8|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	174.8200	0.000	1	174.8200	0.000	1	174.8200	0.000	1	174.8200	0.000	1	174.8200	0.000	1	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5a]	3:3:3:3:2:2:	3:6:3:	6:2:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	86.8625	1.513	4	86.8625	2.288	4	86.8625	2.288	4	86.6388	1.725	6	87.2485	2.389	16	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5a]	3:3:3:3:2:2:	3:6:3:	6:2:2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H)	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	86.1912	1.076	2	86.1912	1.158	2	86.1912	1.158	2	86.6388	1.725	6	87.2485	2.389	16	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5a]	3:3:3:3:2:2:	6:3:3:	6:2:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,5|C<3>}	87.0453	1.158	2	87.0453	1.341	2	87.1655	1.491	8	87.1655	1.491	8	87.2485	2.389	16	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5a]	3:3:3:3:2:2:	6:3:3:	6:2:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	87.2961	0.819	2	87.2055	1.812	6	87.1655	1.491	8	87.1655	1.491	8	87.2485	2.389	16	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5a]	3:3:3:3:2:2:	6:3:3:	6:2:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	87.1602	1.670	4	87.2055	1.812	6	87.1655	1.491	8	87.1655	1.491	8	87.2485	2.389	16	113.0370	1413.140	28
928	542	813	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5a]	3:3:3:3:2:2:	6:3:3:	6:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:C[5a]-3:N[5a]-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a]){2|N<2>,4|C<3>}	89.4099	2.266	2	89.4099	5.137	2	89.4099	5.137	2	89.4099	5.137	2	87.2485	2.389	16	113.0370	1413.140	28
928	542	813	5:SPD6_SP2_SP2	Si[3x5]	N[5,5]	N[5,5a]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[5,6a]-3:C[5]-3:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	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)	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	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>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	83.6838	0.408	8	83.6838	0.166	8	83.6838	0.166	8	83.6838	0.166	8	83.6838	0.166	8	83.0395	3.493	16
928	542	813	5:SPD6_SP2_SP2	Si[3x5]	N[5,6]	N[5,6a]	3:3:3:3:2:2:	6:3:3:	3:6:3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	82.7317	0.054	2	82.7317	0.003	2	82.7317	0.003	2	82.7317	0.003	2	82.7317	0.003	2	83.0395	3.493	16
928	542	813	5:SPD6_SP2_SP2	Si[5,5]	N[5,6]	N[5,5a]	3:3:3:3:2:2:	6:3:3:	6:3:2:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5]-6:C[5,5a]-3:N[5a]-2:	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)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)	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a])	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<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>}	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a]){1|N<2>,5|C<3>}	84.8477	4.477	2	84.8477	20.044	2	84.8477	20.044	2	84.8477	20.044	2	84.8477	20.044	2	83.0395	3.493	16
928	542	813	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6a]	3:3:1:1:1:1:	3:6:3:	3:6:3:	N[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]Cl4)(C[6]C[6]H){1|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H){1|H<1>,4|C<3>}	81.9128	0.000	1	81.9128	0.000	1	81.9128	0.000	1	81.9128	0.000	1	81.0005	1.500	4	83.0395	3.493	16
928	542	813	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6a]	3:3:2:1:1:1:	3:6:3:	3:6:3:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H){1|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	79.9582	0.345	2	79.9582	0.119	2	79.9582	0.119	2	79.9582	0.119	2	81.0005	1.500	4	83.0395	3.493	16
928	542	813	5:SPD6_SP2_SP2	Si[5]	N[5,6]	N[5,6a]	3:3:3:3:2:2:	3:6:3:	3:6:3:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	82.1729	0.000	1	82.1729	0.000	1	82.1729	0.000	1	82.1729	0.000	1	81.0005	1.500	4	83.0395	3.493	16
928	542	830	0:SPD6_SP-NON_SP2	Si[5]	N[5,6]	F	3:3:2:1:1:1:	3:6:3:	6:	N[5,6]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6]-3:Si[5]-6:C[6]-3:	Si[5]-6:	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H)	F(Si[5]N[5,6]2CFF)	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3{2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H){2|H<1>,3|C<3>}	F(Si[5]N[5,6]2CFF)	116.0813	42.511	6	116.0813	1807.162	6	116.0813	1807.162	6	115.3455	1651.922	12	115.3455	1651.922	12	115.3455	1651.922	12
928	542	830	0:SPD6_SP-NON_SP2	Si[5]	N[5,6]	F	3:3:2:1:1:1:	3:6:3:	6:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H)	F(Si[5]N[5,6a]N[5,6]CFF)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H){1|H<1>,4|C<3>}	F(Si[5]N[5,6a]N[5,6]CFF)	114.6097	42.729	6	114.6097	1825.768	6	114.6097	1825.768	6	115.3455	1651.922	12	115.3455	1651.922	12	115.3455	1651.922	12
928	542	856	0:SPD6_SP2_SP2	Si[5,6,6]	N[5]	N[6]	3:3:2:2:3:3:	6:3:4:	6:3:4:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	Si[5,6,6]-6:C[6a]-3:C[5]-4:	Si[5,6,6]-6:C[6]-3:C-4:	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH)	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	N[5](Si[5,6,6]N[5]N[6]2O[6]2)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|H<1>,7|C<3>}	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	92.0174	1.643	8	92.0174	2.700	8	92.0174	2.700	8	92.0174	2.700	8	92.0174	2.700	8	92.0174	2.700	8
928	542	891	5:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	S[5]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	86.6808	0.000	1	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3
928	542	891	5:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	S[5]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	85.4376	0.000	1	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3
928	542	891	5:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	S[5]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	N[5,6](Si[5,6,6]C[6a]O[6]3S[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){2|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	85.3232	0.000	1	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3	85.8139	0.567	3
928	542	924	0:SPD6_SP-NON_SP2	Si[5,5]	N[5]	Br	3:3:2:2:1:1:	6:3:3:	6:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Br-1:Br-1:	Si[5,5]-6:N[5]-3:C-3:	Si[5,5]-6:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC)	Br(Si[5,5]N[5]2O[5]2Br)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2{2|C<3>,2|H<1>}	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC){1|N<3>,3|C<3>}	Br(Si[5,5]N[5]2O[5]2Br)	90.0000	0.714	2	90.0000	0.509	2	90.0000	0.509	2	90.0000	0.509	2	90.0000	0.509	2	90.0000	0.509	2
928	542	941	0:SPD6_SP2_SP2	Si[5,5]	N[5,6]	N	3:3:3:3:2:2:	6:3:3:	6:2:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	Si[5,5]-6:C[5,6]-3:C[6]-3:	Si[5,5]-6:N-2:	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)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)	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<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>}	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	94.6142	2.437	2	94.6142	5.941	2	94.6142	5.941	2	94.6142	5.941	2	94.6142	5.941	2	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	N	3:3:2:2:2:2:	6:3:4:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	87.7908	0.927	8	87.7908	0.859	8	87.7908	0.859	8	87.7908	0.859	8	87.1996	4.865	12	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	N	3:3:2:2:2:2:	6:4:3:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[5]-4:C[6]-3:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	N[5,6](Si[5,6,6]N[5,6]O[6]2NN)(C[5]C[5]HH)(C[6]C[6]C){3|C<3>,3|H<1>}	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	89.0738	0.912	2	89.0738	0.832	2	89.0738	0.832	2	89.0738	0.832	2	87.1996	4.865	12	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5,6,6]	N[5,6]	N	3:3:2:2:4:2:	6:3:4:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:C[6]-3:C[5]-4:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH)	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	N[5,6](Si[5,6,6]N[5,6]O[6]2CN)(C[6]C[6,6a]C[6a])(C[5]C[5]HH){2|H<1>,6|C<3>}	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	82.9608	0.953	2	82.9608	0.908	2	82.9608	0.908	2	82.9608	0.908	2	87.1996	4.865	12	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N	3:3:2:2:2:2:	3:6:3:	6:2:	N[5,6]-3:N[5,6]-3:N-2:N-2:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:C-2:	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H)	N(Si[5]N[5,6]2N3)(CO)	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N4)(C[6]C[6]H){1|H<1>,4|C<3>}	N(Si[5]N[5,6]2N3)(CO)	108.9109	38.831	8	108.9109	1507.818	8	108.9109	1507.818	8	108.9109	1507.818	8	123.7869	1739.096	24	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N	3:3:3:3:2:2:	3:6:3:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(Si[5]N[5,6]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	130.7970	47.594	4	130.7970	2265.182	4	130.7970	2265.182	4	130.8777	2018.982	6	123.7869	1739.096	24	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N	3:3:3:3:2:2:	3:6:3:	6:2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:N-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H)	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]N[5a]2NN)(C[6]C[6]H){1|H<1>,4|C<3>,4|N<2>}	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	131.0392	57.439	2	131.0392	3299.286	2	131.0392	3299.286	2	130.8777	2018.982	6	123.7869	1739.096	24	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N	3:3:3:3:2:2:	6:3:3:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|N<2>,4|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	131.5368	47.111	4	131.5368	2219.433	4	131.4332	1854.763	10	131.4332	1854.763	10	123.7869	1739.096	24	110.6976	1386.859	38
928	542	941	0:SPD6_SP2_SP2	Si[5]	N[5,6]	N	3:3:3:3:2:2:	6:3:3:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6](Si[5]N[5,6]N[5a]2NN)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>,4|N<2>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	131.3642	44.798	6	131.3642	2006.899	6	131.4332	1854.763	10	131.4332	1854.763	10	123.7869	1739.096	24	110.6976	1386.859	38
928	542	951	0:SPD6_SP-NON_SP2	Si[5]	N[5,6]	H	3:3:1:1:1:1:	6:3:3:	6:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:H-1:H-1:	Si[5]-6:C[5,6]-3:C[6]-3:	Si[5]-6:	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H)	H(Si[5]N[5,6]2Cl2H)	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2{2|H<1>,4|C<3>}	N[5,6](Si[5]N[5,6]Cl2HH)(C[5,6]C[5,6]C[6])(C[6]C[6]H){2|H<1>,3|C<3>}	H(Si[5]N[5,6]2Cl2H)	128.3495	45.520	4	128.3495	2072.061	4	128.3495	2072.061	4	128.3495	2072.061	4	128.3495	2072.061	4	128.3495	2072.061	4
928	542	976	0:SPD6_SP2_SP2	Si[3x5]	N[5,6]	O[5]	3:3:3:3:2:2:	6:3:3:	6:3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	Si[3x5]-6:C[5,6,6a]-3:C[6]-3:	Si[3x5]-6:C[5,6a]-3:	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H)	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a])	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	N[5,6](Si[3x5]N[5,6a]2N[5,6]O[5]2)(C[5,6,6a]C[5,6a,6a]C[6,6a])(C[6]C[6]H){10|C<3>,1|H<1>}	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a]){11|C<3>}	132.1186	49.951	4	132.1186	2495.055	4	132.1186	2495.055	4	132.1186	2495.055	4	132.1186	2495.055	4	123.7613	2220.516	5
928	542	976	0:SPD6_SP2_SP2	Si[5,6]	N[5]	O[5]	3:3:3:2:2:3:	6:3:3:	6:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5]-3:C[5]-3:	Si[5,6]-6:C[5,6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H)	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5](Si[5,6]N[5,6]C[6a]N[5a]O[5]O[6])(C[5]C[5]H)(C[5]N[5]H){1|C<4>,1|H<1>,8|C<3>}	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>}	90.3320	0.000	1	90.3320	0.000	1	90.3320	0.000	1	90.3320	0.000	1	90.3320	0.000	1	123.7613	2220.516	5
928	542	976	5:SPD6_SP2_SP2	Si[5,5]	N[5]	O[5]	3:3:2:2:1:1:	6:3:3:	6:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Br-1:Br-1:	Si[5,5]-6:N[5]-3:C-3:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC)	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5])	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2{2|C<3>,2|H<1>}	N[5](Si[5,5]N[5]O[5]2Br2)(N[5]C[5]H)(CCC){1|N<3>,3|C<3>}	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,5|C<3>}	90.0000	7.306	2	90.0000	53.381	2	90.0000	53.381	2	90.0000	53.381	2	90.0000	53.381	2	88.8564	30.614	3
928	542	976	5:SPD6_SP2_SP2	Si[5,6]	N[5,6]	O[5]	3:3:3:2:2:3:	6:3:3:	6:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6a]-3:C[6]-3:	Si[5,6]-6:C[5,6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O)	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5,6](Si[5,6]C[6a]N[5a]N[5]O[5]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]N[5,6]O){10|C<3>,1|H<1>}	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>}	86.5693	0.000	1	86.5693	0.000	1	86.5693	0.000	1	86.5693	0.000	1	86.5693	0.000	1	88.8564	30.614	3
928	542	983	0:SPD6_SP1_SP2	Si[5]	N[5,6]	C	3:3:2:1:1:1:	3:6:3:	6:2:	N[5,6]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6]-3:Si[5]-6:C[6]-3:	Si[5]-6:C-2:	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H)	C(Si[5]N[5,6]2F3)(CC[6a])	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3{2|H<1>,4|C<3>}	N[5,6](C[5,6]C[5,6]C[6])(Si[5]N[5,6]CF3)(C[6]C[6]H){2|H<1>,3|C<3>}	C(Si[5]N[5,6]2F3)(CC[6a])	87.6455	2.881	2	87.6455	8.301	2	87.6455	8.301	2	89.0414	9.032	4	89.0414	9.032	4	89.0414	9.032	4
928	542	983	0:SPD6_SP1_SP2	Si[5]	N[5,6]	C	3:3:2:1:1:1:	3:6:3:	6:2:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6,6a]-3:Si[5]-6:C[6]-3:	Si[5]-6:C-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H)	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	N[5,6](C[5,6,6a]C[5,6a,6a]C[6,6a])(Si[5]N[5,6a]CF3)(C[6]C[6]H){1|H<1>,4|C<3>}	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	90.4373	3.317	2	90.4373	11.001	2	90.4373	11.001	2	89.0414	9.032	4	89.0414	9.032	4	89.0414	9.032	4
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	90.2346	0.000	1	88.6435	10.196	3	87.5100	8.955	6	88.0803	7.551	8	89.0114	9.599	12	89.0114	9.599	12
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	87.8479	4.074	2	88.6435	10.196	3	87.5100	8.955	6	88.0803	7.551	8	89.0114	9.599	12	89.0114	9.599	12
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	86.7217	3.995	2	86.3766	8.336	3	87.5100	8.955	6	88.0803	7.551	8	89.0114	9.599	12	89.0114	9.599	12
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	85.6863	0.000	1	86.3766	8.336	3	87.5100	8.955	6	88.0803	7.551	8	89.0114	9.599	12	89.0114	9.599	12
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	89.7910	0.527	2	89.7910	0.277	2	89.7910	0.277	2	88.0803	7.551	8	89.0114	9.599	12	89.0114	9.599	12
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:3:3:	6:3:	6:3:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<4>,7|C<3>}	89.1076	0.170	2	89.1076	0.029	2	89.1076	0.029	2	89.1076	0.029	2	89.0114	9.599	12	89.0114	9.599	12
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:4:2:	6:3:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	89.5243	0.000	1	89.5243	0.000	1	89.5243	0.000	1	89.5243	0.000	1	89.0114	9.599	12	89.0114	9.599	12
928	622	622	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:3:3:2:2:	6:3:	6:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	95.7555	0.000	1	95.7555	0.000	1	95.7555	0.000	1	95.7555	0.000	1	89.0114	9.599	12	89.0114	9.599	12
928	622	622	6:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	89.9173	0.000	1	89.9173	0.000	1	89.9017	0.278	3	89.1385	2.516	4	89.1385	2.516	4	89.1385	2.516	4
928	622	622	6:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	90.4210	0.000	1	90.4210	0.000	1	89.9017	0.278	3	89.1385	2.516	4	89.1385	2.516	4	89.1385	2.516	4
928	622	622	6:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	89.3668	0.000	1	89.3668	0.000	1	89.9017	0.278	3	89.1385	2.516	4	89.1385	2.516	4	89.1385	2.516	4
928	622	622	6:SPD6_SP2_SP2	Si[5,6,6]	O[6]	O[6]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C)	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	86.8487	0.000	1	86.8487	0.000	1	86.8487	0.000	1	89.1385	2.516	4	89.1385	2.516	4	89.1385	2.516	4
928	622	643	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	C[6a]	3:3:2:2:2:2:	6:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	93.0990	0.000	1	105.6244	1211.443	6	119.9431	1860.215	9	119.9431	1860.215	9	111.0428	1433.886	13	109.4115	1360.841	14
928	622	643	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	C[6a]	3:3:2:2:2:2:	6:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	91.2760	2.467	2	105.6244	1211.443	6	119.9431	1860.215	9	119.9431	1860.215	9	111.0428	1433.886	13	109.4115	1360.841	14
928	622	643	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	C[6a]	3:3:2:2:2:2:	6:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	119.3651	49.579	3	105.6244	1211.443	6	119.9431	1860.215	9	119.9431	1860.215	9	111.0428	1433.886	13	109.4115	1360.841	14
928	622	643	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	C[6a]	3:3:2:2:2:2:	6:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	133.5177	61.423	2	148.5805	2567.026	3	119.9431	1860.215	9	119.9431	1860.215	9	111.0428	1433.886	13	109.4115	1360.841	14
928	622	643	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	C[6a]	3:3:2:2:2:2:	6:3:	6:3:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	178.7060	0.000	1	148.5805	2567.026	3	119.9431	1860.215	9	119.9431	1860.215	9	111.0428	1433.886	13	109.4115	1360.841	14
928	622	643	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	C[6a]	3:3:3:3:2:2:	6:3:	6:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a])	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	O[6](Si[5,6,6]N[5,6]2C[6a]2O[6])(C[6,6a]C[6,6a]C[6a]){11|C<3>,1|H<1>}	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	91.0172	1.620	4	91.0172	2.625	4	91.0172	2.625	4	91.0172	2.625	4	111.0428	1433.886	13	109.4115	1360.841	14
928	622	643	0:SPD6_SP2_SP2	Si[5,6]	O[6]	C[6a]	3:3:3:2:2:3:	6:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6]-3:	Si[5,6]-6:C[6a]-3:C[6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	88.2052	0.000	1	88.2052	0.000	1	88.2052	0.000	1	88.2052	0.000	1	88.2052	0.000	1	109.4115	1360.841	14
928	622	813	0:SPD6_SP2_SP2	Si[5,6]	O[6]	N[5a]	3:3:3:2:2:3:	6:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6]-3:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	89.6749	0.000	1	89.6749	0.000	1	89.6749	0.000	1	89.6749	0.000	1	89.6749	0.000	1	89.6749	0.000	1
928	622	856	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	N[6]	3:3:2:2:3:3:	6:3:	6:3:4:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C[6]-3:C-4:	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<4>,7|C<3>}	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	86.7211	2.610	4	86.7211	6.813	4	86.7211	6.813	4	86.7211	6.813	4	86.7211	6.813	4	86.7211	6.813	4
928	622	856	6:SPD6_SP2_SP2	Si[5,6,6]	O[6]	N[6]	3:3:2:2:3:3:	6:3:	6:3:4:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C[6]-3:C-4:	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a])	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	O[6](Si[5,6,6]N[5]2N[6]2O[6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,4|C<4>,7|C<3>}	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	89.3582	0.525	4	89.3582	0.275	4	89.3582	0.275	4	89.3582	0.275	4	89.3582	0.275	4	89.3582	0.275	4
928	622	891	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	S[5]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	173.8090	0.000	1	132.2490	2041.961	6	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9
928	622	891	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	S[5]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	132.6246	56.515	2	132.2490	2041.961	6	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9
928	622	891	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	S[5]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C)	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6]C){1|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	118.1453	48.433	3	132.2490	2041.961	6	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9
928	622	891	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	S[5]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	90.2834	0.517	2	89.3456	2.772	3	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9
928	622	891	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	S[5]	3:3:2:2:2:2:	6:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6])	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	O[6](Si[5,6,6]N[5,6]C[6a]O[6]2S[5])(C[6]C[6a]C[6]){1|H<1>,9|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	87.4699	0.000	1	89.3456	2.772	3	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9	117.9479	1737.095	9
928	622	941	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	N	3:3:2:2:2:2:	6:3:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a])	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	92.1124	1.361	8	92.1124	1.853	8	92.1124	1.853	8	91.8725	1.711	10	91.1205	5.324	12	91.1205	5.324	12
928	622	941	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	N	3:3:2:2:2:2:	6:3:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C[6]-3:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	O[6](Si[5,6,6]N[5,6]2O[6]NN)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	90.9132	0.362	2	90.9132	0.131	2	90.9132	0.131	2	91.8725	1.711	10	91.1205	5.324	12	91.1205	5.324	12
928	622	941	0:SPD6_SP2_SP2	Si[5,6,6]	O[6]	N	3:3:2:2:4:2:	6:3:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:N-2:	Si[5,6,6]-6:C[6,6a]-3:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC)	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a])	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(CH3)(NC){4|H<1>,6|C<3>}	O[6](Si[5,6,6]N[5,6]2O[6]CN)(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|C<4>,5|C<3>}	N(Si[5,6,6]N[5,6]2O[6]2C)(CS)	87.3603	3.038	2	87.3603	9.231	2	87.3603	9.231	2	87.3603	9.231	2	91.1205	5.324	12	91.1205	5.324	12
928	622	976	0:SPD6_SP2_SP2	Si[5,6]	O[6]	O[5]	3:3:3:2:2:3:	6:3:	6:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5,6]-3:	Si[5,6]-6:C[5,6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5])	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	O[6](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[5])(C[5,6]N[5,6]O[5]){11|C<3>}	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>}	175.4500	0.000	1	175.4500	0.000	1	175.4500	0.000	1	175.4500	0.000	1	175.4500	0.000	1	175.4500	0.000	1
928	643	643	0:SPD6_SP2_SP2	Si[3x5]	C[6a]	C[6a]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[6a]-3:C[6a]-3:	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	C[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2	C[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	C[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2{11|C<3>,2|H<1>}	C[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2{11|C<3>,2|H<1>}	176.9930	1.402	4	176.9930	1.965	4	176.9930	1.965	4	176.9930	1.965	4	176.9930	1.965	4	176.9618	1.479	5
928	643	643	0:SPD6_SP2_SP2	Si[5,6,6]	C[6a]	C[6a]	3:3:3:3:2:2:	6:3:3:	6:3:3:	N[5,6]-3:N[5,6]-3:C[6a]-3:C[6a]-3:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)2(O[6]C[6,6a])2{11|C<3>,5|H<1>}	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	C[6a](Si[5,6,6]N[5,6]2C[6a]O[6]2)(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	176.8370	0.000	1	176.8370	0.000	1	176.8370	0.000	1	176.8370	0.000	1	176.8370	0.000	1	176.9618	1.479	5
928	643	813	0:SPD6_SP2_SP2	Si[3x5]	C[6a]	N[5,5a]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	C[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	C[6a](Si[3x5]N[5,5a]2N[5,5]2C[6a])(C[6a]C[6a]H)2{11|C<3>,2|H<1>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	89.1626	1.402	16	89.1626	1.966	16	89.1626	1.966	16	89.1626	1.966	16	89.1626	1.966	16	89.4295	3.054	17
928	643	813	0:SPD6_SP2_SP2	Si[5,6]	C[6a]	N[5a]	3:3:3:2:2:3:	6:3:3:	6:3:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[6a]-3:C[6a]-3:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	93.7002	0.000	1	93.7002	0.000	1	93.7002	0.000	1	93.7002	0.000	1	93.7002	0.000	1	89.4295	3.054	17
928	643	891	0:SPD6_SP2_SP2	Si[5,6,6]	C[6a]	S[5]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|C<4>,2|H<1>,8|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	93.0882	0.000	1	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3
928	643	891	0:SPD6_SP2_SP2	Si[5,6,6]	C[6a]	S[5]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,3|C<4>,7|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	93.8244	0.000	1	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3
928	643	891	0:SPD6_SP2_SP2	Si[5,6,6]	C[6a]	S[5]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,6]-3:C[6a]-3:S[5]-2:O[6]-2:O[6]-2:O[6]-2:	Si[5,6,6]-6:C[6a]-3:C[6a]-3:	Si[5,6,6]-6:C[5,6a]-3:	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a])	Si[5,6,6](N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(S[5]C[5,6a])(O[6]C[6])3{2|H<1>,4|C<4>,6|C<3>}	C[6a](Si[5,6,6]N[5,6]O[6]3S[5])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	S[5](Si[5,6,6]N[5,6]C[6a]O[6]3)(C[5,6a]C[5,6a]C[6a]){1|H<1>,8|C<3>}	94.0314	0.000	1	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3	93.6480	0.246	3
928	643	976	0:SPD6_SP2_SP2	Si[5,6]	C[6a]	O[5]	3:3:3:2:2:3:	6:3:3:	6:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[6a]-3:C[6a]-3:	Si[5,6]-6:C[5,6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	C[6a](Si[5,6]N[5,6]N[5a]N[5]O[5]O[6])(C[6a]C[6a]H)2{2|H<1>,9|C<3>}	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>}	95.1548	0.000	1	95.1548	0.000	1	95.1548	0.000	1	95.1548	0.000	1	95.1548	0.000	1	95.1548	0.000	1
928	790	790	0:SPD6_SP-NON_SP-NON	Si[5,5]	Cl	Cl	3:3:3:3:1:1:	6:	6:	N[5,6]-3:N[5,6]-3:N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:	Si[5,5]-6:	Si[5,5]-6:	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2	Cl(Si[5,5]N[5,6]4Cl)	Cl(Si[5,5]N[5,6]4Cl)	Si[5,5](N[5,6]C[5,6]C[6])4(Cl)2{4|H<1>,8|C<3>}	Cl(Si[5,5]N[5,6]4Cl)	Cl(Si[5,5]N[5,6]4Cl)	94.2577	0.000	1	94.2577	0.000	1	94.2577	0.000	1	94.2577	0.000	1	94.2577	0.000	1	109.0595	1073.855	30
928	790	790	0:SPD6_SP-NON_SP-NON	Si[5]	Cl	Cl	3:3:1:1:1:1:	6:	6:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	Si[5]-6:	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4	Cl(Si[5]N[5,6]2Cl3)	Cl(Si[5]N[5,6]2Cl3)	Si[5](N[5,6]C[5,6,6a]C[6])2(Cl)4{2|H<1>,4|C<3>}	Cl(Si[5]N[5,6]2Cl3)	Cl(Si[5]N[5,6]2Cl3)	106.2419	32.270	6	106.2419	1041.324	6	106.2419	1041.324	6	111.4318	1215.145	13	109.5699	1104.112	29	109.0595	1073.855	30
928	790	790	0:SPD6_SP-NON_SP-NON	Si[5]	Cl	Cl	3:3:1:1:1:1:	6:	6:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:H-1:H-1:	Si[5]-6:	Si[5]-6:	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2	Cl(Si[5]N[5,6]2ClHH)	Cl(Si[5]N[5,6]2ClHH)	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2{2|H<1>,4|C<3>}	Cl(Si[5]N[5,6]2ClHH)	Cl(Si[5]N[5,6]2ClHH)	174.6980	0.000	1	174.6980	0.000	1	174.6980	0.000	1	111.4318	1215.145	13	109.5699	1104.112	29	109.0595	1073.855	30
928	790	790	0:SPD6_SP-NON_SP-NON	Si[5]	Cl	Cl	3:3:1:1:1:1:	6:	6:	N[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	Si[5]-6:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4	Cl(Si[5]N[5,6a]N[5,6]Cl3)	Cl(Si[5]N[5,6a]N[5,6]Cl3)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4{2|H<1>,4|C<3>}	Cl(Si[5]N[5,6a]N[5,6]Cl3)	Cl(Si[5]N[5,6a]N[5,6]Cl3)	106.0773	31.745	6	106.0773	1007.775	6	106.0773	1007.775	6	111.4318	1215.145	13	109.5699	1104.112	29	109.0595	1073.855	30
928	790	790	0:SPD6_SP-NON_SP-NON	Si[5]	Cl	Cl	4:4:1:1:1:1:	6:	6:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	Si[5]-6:	Si[5](P[5]C[5,6a]CC)2(Cl)4	Cl(Si[5]P[5]2Cl3)	Cl(Si[5]P[5]2Cl3)	Si[5](P[5]C[5,6a]CC)2(Cl)4{2|C<3>}	Cl(Si[5]P[5]2Cl3)	Cl(Si[5]P[5]2Cl3)	106.4010	32.802	6	106.4010	1075.999	6	108.0571	1083.448	16	108.0571	1083.448	16	109.5699	1104.112	29	109.0595	1073.855	30
928	790	790	0:SPD6_SP-NON_SP-NON	Si[5]	Cl	Cl	4:4:1:1:1:1:	6:	6:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	Si[5]-6:	Si[5](P[5]C[5]CC)2(Cl)4	Cl(Si[5]P[5]2Cl3)	Cl(Si[5]P[5]2Cl3)	Si[5](P[5]C[5]CC)2(Cl)4{4|H<1>}	Cl(Si[5]P[5]2Cl3)	Cl(Si[5]P[5]2Cl3)	109.0507	34.714	10	109.0507	1205.044	10	108.0571	1083.448	16	108.0571	1083.448	16	109.5699	1104.112	29	109.0595	1073.855	30
928	790	813	0:SPD6_SP-NON_SP2	Si[5]	Cl	N[5,6a]	3:3:1:1:1:1:	6:	3:6:3:	N[5,6a]-3:N[5,6]-3:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4	Cl(Si[5]N[5,6a]N[5,6]Cl3)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(Cl)4{2|H<1>,4|C<3>}	Cl(Si[5]N[5,6a]N[5,6]Cl3)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H){1|H<1>,4|C<3>}	109.8774	42.791	4	109.8774	1831.089	4	109.8774	1831.089	4	109.8774	1831.089	4	109.8774	1831.089	4	109.8774	1831.089	4
928	790	951	0:SPD6_SP-NON_SP-NON	Si[5]	Cl	H	3:3:1:1:1:1:	6:	6:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:H-1:H-1:	Si[5]-6:	Si[5]-6:	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2	Cl(Si[5]N[5,6]2ClHH)	H(Si[5]N[5,6]2Cl2H)	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2{2|H<1>,4|C<3>}	Cl(Si[5]N[5,6]2ClHH)	H(Si[5]N[5,6]2Cl2H)	91.6482	2.184	4	91.6482	4.768	4	91.6482	4.768	4	91.6482	4.768	4	91.6482	4.768	4	91.6482	4.768	4
928	790	955	0:SPD6_SP-NON_SP3	Si[5]	Cl	P[5]	4:4:1:1:1:1:	6:	3:6:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	C[5,6a]-3:Si[5]-6:C-4:C-4:	Si[5](P[5]C[5,6a]CC)2(Cl)4	Cl(Si[5]P[5]2Cl3)	P[5](C[5,6a]C[5,6a]C[6a])(Si[5]P[5]Cl4)(CH3)2	Si[5](P[5]C[5,6a]CC)2(Cl)4{2|C<3>}	Cl(Si[5]P[5]2Cl3)	P[5](C[5,6a]C[5,6a]C[6a])(Si[5]P[5]Cl4)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	109.7166	40.113	8	109.7166	1609.047	8	109.7166	1609.047	8	109.7166	1609.047	8	109.9847	1471.927	20	109.9847	1471.927	20
928	790	955	0:SPD6_SP-NON_SP3	Si[5]	Cl	P[5]	4:4:1:1:1:1:	6:	6:4:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Cl)4	Cl(Si[5]P[5]2Cl3)	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2	Si[5](P[5]C[5]CC)2(Cl)4{4|H<1>}	Cl(Si[5]P[5]2Cl3)	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	110.2447	43.425	4	110.2447	1885.703	4	110.1635	1518.394	12	110.1635	1518.394	12	109.9847	1471.927	20	109.9847	1471.927	20
928	790	955	0:SPD6_SP-NON_SP3	Si[5]	Cl	P[5]	4:4:1:1:1:1:	6:	6:4:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Cl)4	Cl(Si[5]P[5]2Cl3)	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CH3)2	Si[5](P[5]C[5]CC)2(Cl)4{4|H<1>}	Cl(Si[5]P[5]2Cl3)	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	110.1228	39.723	8	110.1228	1577.883	8	110.1635	1518.394	12	110.1635	1518.394	12	109.9847	1471.927	20	109.9847	1471.927	20
928	813	813	0:SPD6_SP2_SP2	Si[3x5]	N[5,5a]	N[5,5a]	3:3:3:3:3:3:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:N[5,5]-3:N[5,5]-3:C[6a]-3:C[6a]-3:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	Si[3x5]-6:C[5,5a]-3:C[5a]-3:	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H)	Si[3x5](N[5,5a]C[5,5a]C[5a])2(N[5,5]C[5,6a]C[5])2(C[6a]C[6a]2)2{10|C<3>,8|H<1>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	N[5,5a](Si[3x5]N[5,5a]N[5,5]2C[6a]2)(C[5,5a]C[5a]C[5])(C[5a]C[5a]H){3|H<1>,9|C<3>}	110.5580	1.034	4	110.5580	1.070	4	110.5580	1.070	4	110.5580	1.070	4	110.5580	1.070	4	137.3925	1390.908	12
928	813	813	0:SPD6_SP2_SP2	Si[3x5]	N[5,6a]	N[5,6a]	3:3:3:3:2:2:	3:6:3:	3:6:3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	170.4230	0.000	1	170.4230	0.000	1	170.4230	0.000	1	170.4230	0.000	1	170.4230	0.000	1	137.3925	1390.908	12
928	813	813	0:SPD6_SP2_SP2	Si[5]	N[5,6a]	N[5a]	3:3:3:3:2:2:	3:6:3:	6:2:2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	86.7053	1.557	2	86.7053	2.425	2	86.7053	2.425	2	86.7053	2.425	2	86.7053	2.425	2	137.3925	1390.908	12
928	813	813	0:SPD6_SP2_SP2	Si[5]	N[5a]	N[5a]	3:3:3:3:2:2:	6:2:2:	6:2:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	171.6430	0.000	1	171.6430	0.000	1	172.3140	0.371	3	171.8700	1.036	4	172.5288	2.947	5	137.3925	1390.908	12
928	813	813	0:SPD6_SP2_SP2	Si[5]	N[5a]	N[5a]	3:3:3:3:2:2:	6:2:2:	6:2:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	172.8330	0.000	1	172.6495	0.067	2	172.3140	0.371	3	171.8700	1.036	4	172.5288	2.947	5	137.3925	1390.908	12
928	813	813	0:SPD6_SP2_SP2	Si[5]	N[5a]	N[5a]	3:3:3:3:2:2:	6:2:2:	6:2:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	172.4660	0.000	1	172.6495	0.067	2	172.3140	0.371	3	171.8700	1.036	4	172.5288	2.947	5	137.3925	1390.908	12
928	813	813	0:SPD6_SP2_SP2	Si[5]	N[5a]	N[5a]	3:3:3:3:2:2:	6:2:2:	6:2:2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	170.5380	0.000	1	170.5380	0.000	1	170.5380	0.000	1	171.8700	1.036	4	172.5288	2.947	5	137.3925	1390.908	12
928	813	813	0:SPD6_SP2_SP2	Si[5]	N[5a]	N[5a]	3:3:3:3:2:2:	6:2:2:	6:3:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:C[5a]-3:N[5a]-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a])	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,5|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a]){2|N<2>,4|C<3>}	175.1640	0.000	1	175.1640	0.000	1	175.1640	0.000	1	175.1640	0.000	1	172.5288	2.947	5	137.3925	1390.908	12
928	813	813	5:SPD6_SP2_SP2	Si[5,5]	N[5,5a]	N[5,5a]	3:3:2:2:2:2:	6:3:3:	6:3:3:	N[5,5a]-3:N[5,5a]-3:O[5]-2:O[5]-2:N-2:N-2:	Si[5,5]-6:C[5,5a]-3:C[5a]-3:	Si[5,5]-6:C[5,5a]-3:C[5a]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C)	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C)	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2{2|C<4>,6|C<3>}	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C){2|C<4>,4|C<3>}	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C){2|C<4>,4|C<3>}	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	133.5683	4311.806	2	133.5683	4311.806	2
928	813	813	5:SPD6_SP2_SP2	Si[5,5]	N[5,5a]	N[5,5a]	3:3:3:3:2:2:	6:3:2:	6:3:2:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	Si[5,5]-6:C[5,5a]-3:N[5a]-2:	Si[5,5]-6:C[5,5a]-3:N[5a]-2:	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a])	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a])	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<3>,4|N<2>}	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a]){1|N<2>,5|C<3>}	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a]){1|N<2>,5|C<3>}	87.1366	0.000	1	87.1366	0.000	1	87.1366	0.000	1	87.1366	0.000	1	133.5683	4311.806	2	133.5683	4311.806	2
928	813	830	0:SPD6_SP-NON_SP2	Si[5]	N[5,6a]	F	3:3:2:1:1:1:	3:6:3:	6:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5]-6:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	F(Si[5]N[5,6a]N[5,6]CFF)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	F(Si[5]N[5,6a]N[5,6]CFF)	101.4209	34.163	6	101.4209	1167.116	6	101.4209	1167.116	6	101.4209	1167.116	6	101.4209	1167.116	6	101.4209	1167.116	6
928	813	941	0:SPD6_SP2_SP2	Si[5,5]	N[5,5a]	N	3:3:2:2:2:2:	6:3:3:	6:2:	N[5,5a]-3:N[5,5a]-3:O[5]-2:O[5]-2:N-2:N-2:	Si[5,5]-6:C[5,5a]-3:C[5a]-3:	Si[5,5]-6:C-2:	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C)	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2{2|C<4>,6|C<3>}	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C){2|C<4>,4|C<3>}	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	90.0000	0.567	4	90.0000	0.322	4	90.0000	0.322	4	90.0000	0.322	4	103.2394	1144.962	6	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5,5]	N[5,5a]	N	3:3:3:3:2:2:	6:3:2:	6:2:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	Si[5,5]-6:C[5,5a]-3:N[5a]-2:	Si[5,5]-6:N-2:	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a])	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<3>,4|N<2>}	N[5,5a](Si[5,5]N[5,5a]N[5,6]2NN)(C[5,5a]C[5,6]N[5a])(N[5a]N[5a]){1|N<2>,5|C<3>}	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	129.7181	60.170	2	129.7181	3620.469	2	129.7181	3620.469	2	129.7181	3620.469	2	103.2394	1144.962	6	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5]	N[5,6a]	N	3:3:3:3:2:2:	3:6:3:	6:2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5]-6:N-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	130.9356	58.566	2	130.9356	3429.982	2	130.9356	3429.982	2	130.9356	3429.982	2	130.9356	3429.982	2	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5]	N[5a]	N	3:3:3:3:2:2:	6:2:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	92.7258	1.974	4	92.7258	3.897	4	92.6797	2.145	12	92.7838	2.793	16	92.4562	3.425	18	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5]	N[5a]	N	3:3:3:3:2:2:	6:2:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,1|N<2>,5|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	93.2914	0.204	2	93.2914	0.042	2	92.6797	2.145	12	92.7838	2.793	16	92.4562	3.425	18	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5]	N[5a]	N	3:3:3:3:2:2:	6:2:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){1|C<4>,2|N<2>,4|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	92.3881	2.230	2	92.4450	2.154	6	92.6797	2.145	12	92.7838	2.793	16	92.4562	3.425	18	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5]	N[5a]	N	3:3:3:3:2:2:	6:2:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	92.4735	1.389	4	92.4450	2.154	6	92.6797	2.145	12	92.7838	2.793	16	92.4562	3.425	18	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5]	N[5a]	N	3:3:3:3:2:2:	6:2:2:	6:2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N[5a]-2:N[5a]-2:	Si[5]-6:N-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a])	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N[5a](Si[5]N[5,6a]N[5,6]N[5a]NN)(N[5a]C[5a])(N[5a]N[5a]){2|N<2>,5|C<3>}	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	93.0962	2.435	4	93.0962	5.927	4	93.0962	5.927	4	92.7838	2.793	16	92.4562	3.425	18	97.9046	484.008	26
928	813	941	0:SPD6_SP2_SP2	Si[5]	N[5a]	N	3:3:3:3:2:2:	6:3:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:C[5a]-3:N[5a]-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a])	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N[5a](Si[5]N[5,6]2N[5a]NN)(C[5a]N[5a]C)(N[5a]N[5a]){2|N<2>,4|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	89.8349	0.937	2	89.8349	0.878	2	89.8349	0.878	2	89.8349	0.878	2	92.4562	3.425	18	97.9046	484.008	26
928	813	976	0:SPD6_SP2_SP2	Si[3x5]	N[5,6a]	O[5]	3:3:3:3:2:2:	3:6:3:	6:3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	Si[3x5]-6:C[5,6a]-3:	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a])	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a]){11|C<3>}	93.3774	0.445	3	93.3774	0.198	3	93.3774	0.198	3	93.3774	0.198	3	93.3774	0.198	3	93.3234	0.144	4
928	813	976	0:SPD6_SP2_SP2	Si[5,6]	N[5a]	O[5]	3:3:3:2:2:3:	6:3:3:	6:3:	N[5a]-3:N[5,6]-3:C[6a]-3:O[5]-2:O[6]-2:N[5]-3:	Si[5,6]-6:C[5a,6a]-3:C[5a]-3:	Si[5,6]-6:C[5,6a]-3:	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2)	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O)	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a])	Si[5,6](N[5a]C[5a,6a]C[5a])(N[5,6]C[5,6a]C[6])(C[6a]C[6a]2)(O[5]C[5,6a])(O[6]C[5,6])(N[5]C[5]2){2|N<3>,2|O<1>,2|O<2>,4|H<1>,7|C<3>}	N[5a](Si[5,6]N[5,6]C[6a]N[5]O[5]O[6])(C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]O){10|C<3>,1|H<1>}	O[5](Si[5,6]N[5,6]C[6a]N[5a]N[5]O[6])(C[5,6a]C[5,6a]C[6a]){10|C<3>,1|H<1>}	93.1613	0.000	1	93.1613	0.000	1	93.1613	0.000	1	93.1613	0.000	1	93.1613	0.000	1	93.3234	0.144	4
928	813	976	5:SPD6_SP2_SP2	Si[5,5]	N[5,5a]	O[5]	3:3:2:2:2:2:	6:3:3:	6:3:	N[5,5a]-3:N[5,5a]-3:O[5]-2:O[5]-2:N-2:N-2:	Si[5,5]-6:C[5,5a]-3:C[5a]-3:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C)	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a])	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2{2|C<4>,6|C<3>}	N[5,5a](Si[5,5]N[5,5a]O[5]2NN)(C[5,5a]C[5a]C[5])(C[5a]C[5a]C){2|C<4>,4|C<3>}	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a]){7|C<3>}	90.0000	3.971	4	90.0000	15.765	4	90.0000	15.765	4	90.0000	15.765	4	90.0000	15.765	4	90.0000	15.765	4
928	813	983	0:SPD6_SP1_SP2	Si[5]	N[5,6a]	C	3:3:2:1:1:1:	3:6:3:	6:2:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	Si[5]-6:C-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	128.6598	61.994	2	128.6598	3843.234	2	128.6598	3843.234	2	128.6598	3843.234	2	128.6598	3843.234	2	128.6598	3843.234	2
928	830	830	0:SPD6_SP-NON_SP-NON	Si[3x5]	F	F	4:4:4:1:1:1:	6:	6:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	Si[3x5]-6:	Si[3x5]-6:	Si[3x5](N[5,5]C[5]2C)3(F)3	F(Si[3x5]N[5,5]3FF)	F(Si[3x5]N[5,5]3FF)	Si[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	F(Si[3x5]N[5,5]3FF)	F(Si[3x5]N[5,5]3FF)	95.2401	0.019	2	95.2401	0.000	2	95.2401	0.000	2	95.2401	0.000	2	95.2401	0.000	2	100.2014	470.943	12
928	830	830	0:SPD6_SP-NON_SP-NON	Si[5,5]	F	F	4:4:2:2:1:1:	6:	6:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	Si[5,5]-6:	Si[5,5]-6:	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	F(Si[5,5]N[5]2O[5]2F)	F(Si[5,5]N[5]2O[5]2F)	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	F(Si[5,5]N[5]2O[5]2F)	F(Si[5,5]N[5]2O[5]2F)	91.5916	0.000	1	91.5916	0.000	1	91.5916	0.000	1	91.5916	0.000	1	91.5916	0.000	1	100.2014	470.943	12
928	830	830	0:SPD6_SP-NON_SP-NON	Si[5]	F	F	3:3:2:1:1:1:	6:	6:	N[5,6]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	Si[5]-6:	Si[5]-6:	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3	F(Si[5]N[5,6]2CFF)	F(Si[5]N[5,6]2CFF)	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3{2|H<1>,4|C<3>}	F(Si[5]N[5,6]2CFF)	F(Si[5]N[5,6]2CFF)	94.1895	3.099	3	94.1895	9.607	3	94.1895	9.607	3	102.2605	627.357	9	102.2605	627.357	9	100.2014	470.943	12
928	830	830	0:SPD6_SP-NON_SP-NON	Si[5]	F	F	3:3:2:1:1:1:	6:	6:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	Si[5]-6:	Si[5]-6:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	F(Si[5]N[5,6a]N[5,6]CFF)	F(Si[5]N[5,6a]N[5,6]CFF)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	F(Si[5]N[5,6a]N[5,6]CFF)	F(Si[5]N[5,6a]N[5,6]CFF)	106.2960	30.681	6	106.2960	941.301	6	106.2960	941.301	6	102.2605	627.357	9	102.2605	627.357	9	100.2014	470.943	12
928	830	976	0:SPD6_SP-NON_SP2	Si[5,5]	F	O[5]	4:4:2:2:1:1:	6:	6:3:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	Si[5,5]-6:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	F(Si[5,5]N[5]2O[5]2F)	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5])	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	F(Si[5,5]N[5]2O[5]2F)	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5]){1|N<2>,3|C<3>,4|C<4>}	132.1705	58.986	2	132.1705	3479.365	2	132.1705	3479.365	2	132.1705	3479.365	2	132.1705	3479.365	2	132.1705	3479.365	2
928	830	983	0:SPD6_SP-NON_SP1	Si[5]	F	C	3:3:2:1:1:1:	6:	6:2:	N[5,6]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	Si[5]-6:	Si[5]-6:C-2:	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3	F(Si[5]N[5,6]2CFF)	C(Si[5]N[5,6]2F3)(CC[6a])	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3{2|H<1>,4|C<3>}	F(Si[5]N[5,6]2CFF)	C(Si[5]N[5,6]2F3)(CC[6a])	119.1469	45.388	3	119.1469	2060.106	3	119.1469	2060.106	3	111.3753	1139.162	9	111.3753	1139.162	9	111.3753	1139.162	9
928	830	983	0:SPD6_SP-NON_SP1	Si[5]	F	C	3:3:2:1:1:1:	6:	6:2:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	Si[5]-6:	Si[5]-6:C-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	F(Si[5]N[5,6a]N[5,6]CFF)	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	F(Si[5]N[5,6a]N[5,6]CFF)	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	107.4895	30.729	6	107.4895	944.259	6	107.4895	944.259	6	111.3753	1139.162	9	111.3753	1139.162	9	111.3753	1139.162	9
928	830	999	0:SPD6_SP-NON_SP3	Si[3x5]	F	N[5,5]	4:4:4:1:1:1:	6:	6:4:4:4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	Si[3x5]-6:	Si[3x5]-6:C[5]-4:C[5]-4:C-4:	Si[3x5](N[5,5]C[5]2C)3(F)3	F(Si[3x5]N[5,5]3FF)	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	Si[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	F(Si[3x5]N[5,5]3FF)	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	117.2432	41.598	9	117.2432	1730.396	9	117.2432	1730.396	9	117.2432	1730.396	9	117.2432	1730.396	9	112.8564	1481.000	11
928	830	999	0:SPD6_SP-NON_SP3	Si[5,5]	F	N[5]	4:4:2:2:1:1:	6:	6:2:4:4:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	Si[5,5]-6:	Si[5,5]-6:N[5]-2:C-4:C-4:	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	F(Si[5,5]N[5]2O[5]2F)	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	F(Si[5,5]N[5]2O[5]2F)	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	93.1161	3.779	2	93.1161	14.279	2	93.1161	14.279	2	93.1161	14.279	2	93.1161	14.279	2	112.8564	1481.000	11
928	856	856	0:SPD6_SP2_SP2	Si[5,6,6]	N[6]	N[6]	3:3:2:2:3:3:	6:3:4:	6:3:4:	N[5]-3:N[5]-3:O[6]-2:O[6]-2:N[6]-3:N[6]-3:	Si[5,6,6]-6:C[6]-3:C-4:	Si[5,6,6]-6:C[6]-3:C-4:	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3)	Si[5,6,6](N[5]C[6a]C[5])2(O[6]C[6,6a])2(N[6]C[6]C)2{10|C<3>,4|H<1>}	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	N[6](Si[5,6,6]N[5]2N[6]O[6]2)(C[6]C[6,6a]C[6a])(CH3){3|C<4>,8|C<3>}	173.8100	0.515	2	173.8100	0.265	2	173.8100	0.265	2	173.8100	0.265	2	173.8100	0.265	2	173.8100	0.265	2
928	893	893	0:SPD6_SP3_SP3	Si[5,5]	O	O	2:2:2:2:2:2:	6:4:	6:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:O-2:	Si[5,5]-6:P-4:	Si[5,5]-6:P-4:	Si[5,5](O[5]C[5,6a])4(OP)2	O(Si[5,5]O[5]4O)(PC3)	O(Si[5,5]O[5]4O)(PC3)	Si[5,5](O[5]C[5,6a])4(OP)2{4|C<3>}	O(Si[5,5]O[5]4O)(PC3)	O(Si[5,5]O[5]4O)(PC3)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1
928	893	976	0:SPD6_SP2_SP3	Si[5,5]	O	O[5]	2:2:2:2:2:2:	6:4:	3:6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:O-2:	Si[5,5]-6:P-4:	C[5,6a]-3:Si[5,5]-6:	Si[5,5](O[5]C[5,6a])4(OP)2	O(Si[5,5]O[5]4O)(PC3)	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO)	Si[5,5](O[5]C[5,6a])4(OP)2{4|C<3>}	O(Si[5,5]O[5]4O)(PC3)	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO){1|Br<1>,4|C<3>}	90.0000	0.931	4	90.0000	0.867	4	90.0000	0.867	4	90.0000	0.867	4	90.0000	0.867	4	90.0000	0.867	4
928	924	924	0:SPD6_SP-NON_SP-NON	Si[5,5]	Br	Br	3:3:2:2:1:1:	6:	6:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Br-1:Br-1:	Si[5,5]-6:	Si[5,5]-6:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2	Br(Si[5,5]N[5]2O[5]2Br)	Br(Si[5,5]N[5]2O[5]2Br)	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2{2|C<3>,2|H<1>}	Br(Si[5,5]N[5]2O[5]2Br)	Br(Si[5,5]N[5]2O[5]2Br)	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	120.6610	1772.005	9
928	924	924	0:SPD6_SP-NON_SP-NON	Si[5]	Br	Br	4:4:1:1:1:1:	6:	6:	P[5]-4:P[5]-4:Br-1:Br-1:Br-1:Br-1:	Si[5]-6:	Si[5]-6:	Si[5](P[5]C[5]CC)2(Br)4	Br(Si[5]P[5]2Br3)	Br(Si[5]P[5]2Br3)	Si[5](P[5]C[5]CC)2(Br)4{4|H<1>}	Br(Si[5]P[5]2Br3)	Br(Si[5]P[5]2Br3)	113.2437	38.200	8	113.2437	1459.256	8	113.2437	1459.256	8	113.2437	1459.256	8	113.2437	1459.256	8	120.6610	1772.005	9
928	924	955	0:SPD6_SP-NON_SP3	Si[5]	Br	P[5]	4:4:1:1:1:1:	6:	6:4:4:4:	P[5]-4:P[5]-4:Br-1:Br-1:Br-1:Br-1:	Si[5]-6:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Br)4	Br(Si[5]P[5]2Br3)	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2	Si[5](P[5]C[5]CC)2(Br)4{4|H<1>}	Br(Si[5]P[5]2Br3)	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	110.6603	43.628	4	110.6603	1903.411	4	110.4335	1632.481	8	110.4335	1632.481	8	110.4335	1632.481	8	110.4335	1632.481	8
928	924	955	0:SPD6_SP-NON_SP3	Si[5]	Br	P[5]	4:4:1:1:1:1:	6:	6:4:4:4:	P[5]-4:P[5]-4:Br-1:Br-1:Br-1:Br-1:	Si[5]-6:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Br)4	Br(Si[5]P[5]2Br3)	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CH3)2	Si[5](P[5]C[5]CC)2(Br)4{4|H<1>}	Br(Si[5]P[5]2Br3)	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	110.2068	43.653	4	110.2068	1905.575	4	110.4335	1632.481	8	110.4335	1632.481	8	110.4335	1632.481	8	110.4335	1632.481	8
928	924	976	0:SPD6_SP-NON_SP2	Si[5,5]	Br	O[5]	3:3:2:2:1:1:	6:	6:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Br-1:Br-1:	Si[5,5]-6:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2	Br(Si[5,5]N[5]2O[5]2Br)	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5])	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2{2|C<3>,2|H<1>}	Br(Si[5,5]N[5]2O[5]2Br)	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,5|C<3>}	90.0000	0.020	2	90.0000	0.000	2	90.0000	0.000	2	90.0000	0.000	2	90.0000	0.000	2	90.0000	0.000	2
928	941	941	0:SPD6_SP2_SP2	Si[5,5]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[5,5a]-3:N[5,5a]-3:O[5]-2:O[5]-2:N-2:N-2:	Si[5,5]-6:C-2:	Si[5,5]-6:C-2:	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2{2|C<4>,6|C<3>}	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	139.4769	3284.073	2	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5,5]	N	N	3:3:3:3:2:2:	6:2:	6:2:	N[5,5a]-3:N[5,5a]-3:N[5,6]-3:N[5,6]-3:N-2:N-2:	Si[5,5]-6:N-2:	Si[5,5]-6:N-2:	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	Si[5,5](N[5,5a]C[5,5a]N[5a])2(N[5,6]C[5,6]C[6])2(NN)2{2|H<1>,4|C<3>,4|N<2>}	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	N(Si[5,5]N[5,5a]2N[5,6]2N)(NN)	98.9549	0.000	1	98.9549	0.000	1	98.9549	0.000	1	98.9549	0.000	1	139.4769	3284.073	2	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5,6,6]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C-2:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6,6a])2(NC)2{4|H<1>,6|C<3>}	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	173.9940	0.269	2	173.9940	0.072	2	175.1577	4.098	3	175.1577	4.098	3	175.1577	4.098	3	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5,6,6]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:N-2:N-2:	Si[5,6,6]-6:C-2:	Si[5,6,6]-6:C-2:	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	Si[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(NC)2{2|C<3>,4|C<4>,4|H<1>}	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	N(Si[5,6,6]N[5,6]2O[6]2N)(CS)	177.4850	0.000	1	177.4850	0.000	1	175.1577	4.098	3	175.1577	4.098	3	175.1577	4.098	3	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5]	N	N	3:3:2:2:2:2:	6:2:	6:2:	N[5,6]-3:N[5,6]-3:N-2:N-2:N-2:N-2:	Si[5]-6:C-2:	Si[5]-6:C-2:	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4	N(Si[5]N[5,6]2N3)(CO)	N(Si[5]N[5,6]2N3)(CO)	Si[5](N[5,6]C[5,6,6a]C[6])2(NC)4{2|H<1>,4|C<3>}	N(Si[5]N[5,6]2N3)(CO)	N(Si[5]N[5,6]2N3)(CO)	106.7422	31.644	6	106.7422	1001.336	6	106.7422	1001.336	6	106.7422	1001.336	6	102.5103	524.560	11	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5]	N	N	3:3:3:3:2:2:	6:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2	N(Si[5]N[5,6]2N[5a]2N)(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6,6a]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	98.3611	0.000	1	98.3611	0.000	1	97.3142	0.746	4	97.4321	0.629	5	102.5103	524.560	11	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5]	N	N	3:3:3:3:2:2:	6:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2	N(Si[5]N[5,6]2N[5a]2N)(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]C[5a]N[5a])(N[5a]N[5a]2)(NN)2{1|C<4>,2|H<1>,3|N<2>,5|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	96.8334	0.000	1	96.8334	0.000	1	97.3142	0.746	4	97.4321	0.629	5	102.5103	524.560	11	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5]	N	N	3:3:3:3:2:2:	6:2:	6:2:	N[5,6]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N-2:	Si[5]-6:N-2:	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2	N(Si[5]N[5,6]2N[5a]2N)(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	Si[5](N[5,6]C[5,6]C[6])2(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N(Si[5]N[5,6]2N[5a]2N)(NN)	N(Si[5]N[5,6]2N[5a]2N)(NN)	97.0311	0.867	2	97.0311	0.752	2	97.3142	0.746	4	97.4321	0.629	5	102.5103	524.560	11	120.7525	1451.959	16
928	941	941	0:SPD6_SP2_SP2	Si[5]	N	N	3:3:3:3:2:2:	6:2:	6:2:	N[5,6a]-3:N[5,6]-3:N[5a]-3:N[5a]-3:N-2:N-2:	Si[5]-6:N-2:	Si[5]-6:N-2:	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(N[5a]N[5a]2)2(NN)2{2|H<1>,2|N<2>,6|C<3>}	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	N(Si[5]N[5,6a]N[5,6]N[5a]2N)(NN)	97.9036	0.000	1	97.9036	0.000	1	97.9036	0.000	1	97.4321	0.629	5	102.5103	524.560	11	120.7525	1451.959	16
928	941	976	0:SPD6_SP2_SP2	Si[5,5]	N	O[5]	3:3:2:2:2:2:	6:2:	6:3:	N[5,5a]-3:N[5,5a]-3:O[5]-2:O[5]-2:N-2:N-2:	Si[5,5]-6:C-2:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a])	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2{2|C<4>,6|C<3>}	N(Si[5,5]N[5,5a]2O[5]2N)(CCu)	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a]){7|C<3>}	90.0000	0.734	4	90.0000	0.539	4	90.0000	0.539	4	90.0000	0.539	4	90.0000	0.539	4	90.0000	0.539	4
928	951	951	0:SPD6_SP-NON_SP-NON	Si[5]	H	H	3:3:1:1:1:1:	6:	6:	N[5,6]-3:N[5,6]-3:Cl-1:Cl-1:H-1:H-1:	Si[5]-6:	Si[5]-6:	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2	H(Si[5]N[5,6]2Cl2H)	H(Si[5]N[5,6]2Cl2H)	Si[5](N[5,6]C[5,6]C[6])2(Cl)2(H)2{2|H<1>,4|C<3>}	H(Si[5]N[5,6]2Cl2H)	H(Si[5]N[5,6]2Cl2H)	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1	103.0080	0.000	1
928	955	955	5:SPD6_SP3_SP3	Si[5]	P[5]	P[5]	4:4:1:1:1:1:	3:6:4:4:	3:6:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	C[5,6a]-3:Si[5]-6:C-4:C-4:	C[5,6a]-3:Si[5]-6:C-4:C-4:	Si[5](P[5]C[5,6a]CC)2(Cl)4	P[5](C[5,6a]C[5,6a]C[6a])(Si[5]P[5]Cl4)(CH3)2	P[5](C[5,6a]C[5,6a]C[6a])(Si[5]P[5]Cl4)(CH3)2	Si[5](P[5]C[5,6a]CC)2(Cl)4{2|C<3>}	P[5](C[5,6a]C[5,6a]C[6a])(Si[5]P[5]Cl4)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	P[5](C[5,6a]C[5,6a]C[6a])(Si[5]P[5]Cl4)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	85.6402	0.000	1	85.6402	0.000	1	85.6402	0.000	1	85.6402	0.000	1	85.9548	0.408	5	85.9548	0.408	5
928	955	955	5:SPD6_SP3_SP3	Si[5]	P[5]	P[5]	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	P[5]-4:P[5]-4:Br-1:Br-1:Br-1:Br-1:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Br)4	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2	Si[5](P[5]C[5]CC)2(Br)4{4|H<1>}	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	86.5910	0.000	1	86.5910	0.000	1	86.5832	0.000	2	86.0335	0.503	4	85.9548	0.408	5	85.9548	0.408	5
928	955	955	5:SPD6_SP3_SP3	Si[5]	P[5]	P[5]	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	P[5]-4:P[5]-4:Br-1:Br-1:Br-1:Br-1:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Br)4	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CH3)2	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CH3)2	Si[5](P[5]C[5]CC)2(Br)4{4|H<1>}	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	P[5](Si[5]P[5]Br4)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	86.5754	0.000	1	86.5754	0.000	1	86.5832	0.000	2	86.0335	0.503	4	85.9548	0.408	5	85.9548	0.408	5
928	955	955	5:SPD6_SP3_SP3	Si[5]	P[5]	P[5]	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Cl)4	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2	Si[5](P[5]C[5]CC)2(Cl)4{4|H<1>}	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CCHH)2{2|C<4>,2|H<1>}	85.8711	0.000	1	85.8711	0.000	1	85.4837	0.300	2	86.0335	0.503	4	85.9548	0.408	5	85.9548	0.408	5
928	955	955	5:SPD6_SP3_SP3	Si[5]	P[5]	P[5]	4:4:1:1:1:1:	6:4:4:4:	6:4:4:4:	P[5]-4:P[5]-4:Cl-1:Cl-1:Cl-1:Cl-1:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5]-6:C[5]-4:C-4:C-4:	Si[5](P[5]C[5]CC)2(Cl)4	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CH3)2	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CH3)2	Si[5](P[5]C[5]CC)2(Cl)4{4|H<1>}	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	P[5](Si[5]P[5]Cl4)(C[5]C[5]HH)(CH3)2{2|C<4>,2|H<1>}	85.0963	0.000	1	85.0963	0.000	1	85.4837	0.300	2	86.0335	0.503	4	85.9548	0.408	5	85.9548	0.408	5
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	3:6:	3:6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:Si[3x5]-6:	C[5,6a]-3:Si[3x5]-6:	Si[3x5](O[5]C[5,6a])6	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5)	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5)	Si[3x5](O[5]C[5,6a])6{6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5){1|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5){1|H<1>,6|C<3>}	111.9077	38.678	12	111.9077	1495.964	12	111.9077	1495.964	12	106.5272	1150.936	21	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	3:6:	3:6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:Si[3x5]-6:	C[5]-3:Si[3x5]-6:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5)	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5)	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<3>}	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5){2|N<2>,4|C<3>}	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5){2|N<2>,4|C<3>}	99.3531	26.815	9	99.3531	719.063	9	99.3531	719.063	9	106.5272	1150.936	21	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	3:6:	6:2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:Si[3x5]-6:	Si[3x5]-6:N[5]-2:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5)	O[5](Si[3x5]O[5]5)(N[5]C[5])	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<3>}	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5){2|N<2>,4|C<3>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){2|N<2>,3|C<3>}	124.2701	39.658	18	124.2701	1572.727	18	124.2701	1572.727	18	124.2701	1572.727	18	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:2:	6:2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:N[5]-2:	Si[3x5]-6:N[5]-2:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](Si[3x5]O[5]5)(N[5]C[5])	O[5](Si[3x5]O[5]5)(N[5]C[5])	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<3>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){2|N<2>,3|C<3>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){2|N<2>,3|C<3>}	99.3451	28.388	9	96.8415	606.635	12	96.8415	606.635	12	96.8415	606.635	12	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:2:	6:2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:N[5]-2:	Si[3x5]-6:N[5]-2:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](Si[3x5]O[5]5)(N[5]C[5])	O[5](Si[3x5]O[5]5)(N[5]C[5])	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<4>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){1|C<4>,2|C<3>,2|N<2>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){1|C<4>,2|C<3>,2|N<2>}	89.3306	0.406	3	96.8415	606.635	12	96.8415	606.635	12	96.8415	606.635	12	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:2:	6:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:N[5]-2:	Si[3x5]-6:C[5]-3:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](Si[3x5]O[5]5)(N[5]C[5])	O[5](Si[3x5]O[5]5)(C[5]N[5]C)	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<4>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){1|C<4>,2|C<3>,2|N<2>}	O[5](Si[3x5]O[5]5)(C[5]N[5]C){2|C<3>,2|N<2>}	134.4107	40.647	6	134.4107	1652.144	6	134.4107	1652.144	6	134.4107	1652.144	6	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:3:	6:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:C[5]-3:	Si[3x5]-6:C[5]-3:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](Si[3x5]O[5]5)(C[5]N[5]C)	O[5](Si[3x5]O[5]5)(C[5]N[5]C)	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<4>}	O[5](Si[3x5]O[5]5)(C[5]N[5]C){2|C<3>,2|N<2>}	O[5](Si[3x5]O[5]5)(C[5]N[5]C){2|C<3>,2|N<2>}	88.4745	0.841	3	88.4745	0.707	3	103.4532	1211.263	6	103.4532	1211.263	6	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:3:	6:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:C[5]-3:	Si[3x5]-6:C[5]-3:	Si[3x5](O[5]C[5])6	O[5](Si[3x5]O[5]5)(C[5]C[5]O)	O[5](Si[3x5]O[5]5)(C[5]C[5]O)	Si[3x5](O[5]C[5])6{3|O<1>,6|H<1>}	O[5](Si[3x5]O[5]5)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	O[5](Si[3x5]O[5]5)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	118.4319	48.522	3	118.4319	2354.368	3	103.4532	1211.263	6	103.4532	1211.263	6	112.1145	1295.038	63	112.1145	1295.038	63
928	976	976	0:SPD6_SP2_SP3	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:4:	6:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:C[5]-4:	Si[3x5]-6:C[5]-3:	Si[3x5](O[5]C[5])6	O[5](Si[3x5]O[5]5)(C[5]C[5]HH)	O[5](Si[3x5]O[5]5)(C[5]C[5]O)	Si[3x5](O[5]C[5])6{3|O<1>,6|H<1>}	O[5](Si[3x5]O[5]5)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	O[5](Si[3x5]O[5]5)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	104.1589	35.269	6	104.1589	1243.886	6	104.1589	1243.886	6	104.1589	1243.886	6	104.1589	1243.886	6	104.1589	1243.886	6
928	976	976	0:SPD6_SP3_SP3	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:4:	6:4:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:C[5]-4:	Si[3x5]-6:C[5]-4:	Si[3x5](O[5]C[5])6	O[5](Si[3x5]O[5]5)(C[5]C[5]HH)	O[5](Si[3x5]O[5]5)(C[5]C[5]HH)	Si[3x5](O[5]C[5])6{3|O<1>,6|H<1>}	O[5](Si[3x5]O[5]5)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	O[5](Si[3x5]O[5]5)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	119.8657	45.878	3	119.8657	2104.753	3	119.8657	2104.753	3	119.8657	2104.753	3	119.8657	2104.753	3	119.8657	2104.753	3
928	976	976	5:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	3:6:	3:6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5,6a]-3:Si[3x5]-6:	C[5,6a]-3:Si[3x5]-6:	Si[3x5](O[5]C[5,6a])6	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5)	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5)	Si[3x5](O[5]C[5,6a])6{6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5){1|H<1>,6|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[3x5]O[5]5){1|H<1>,6|C<3>}	88.4466	0.390	3	88.4466	0.152	3	88.4466	0.152	3	88.4466	0.152	3	86.6997	4.576	16	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	3:6:	6:2:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	C[5]-3:Si[3x5]-6:	Si[3x5]-6:N[5]-2:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5)	O[5](Si[3x5]O[5]5)(N[5]C[5])	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<3>}	O[5](C[5]C[6a]N[5])(Si[3x5]O[5]5){2|N<2>,4|C<3>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){2|N<2>,3|C<3>}	85.7612	0.451	9	85.7612	0.203	9	85.7612	0.203	9	85.7612	0.203	9	86.6997	4.576	16	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:2:	6:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:N[5]-2:	Si[3x5]-6:C[5]-3:	Si[3x5](O[5]C[5])3(O[5]N[5])3	O[5](Si[3x5]O[5]5)(N[5]C[5])	O[5](Si[3x5]O[5]5)(C[5]N[5]C)	Si[3x5](O[5]C[5])3(O[5]N[5])3{3|C<4>}	O[5](Si[3x5]O[5]5)(N[5]C[5]){1|C<4>,2|C<3>,2|N<2>}	O[5](Si[3x5]O[5]5)(C[5]N[5]C){2|C<3>,2|N<2>}	85.5213	0.113	3	85.5213	0.013	3	85.5213	0.013	3	85.5213	0.013	3	86.6997	4.576	16	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP2	Si[3x5]	O[5]	O[5]	3:3:3:3:2:2:	6:3:	6:3:	N[5,6a]-3:N[5,6a]-3:N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:	Si[3x5]-6:C[5,6a]-3:	Si[3x5]-6:C[5,6a]-3:	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a])	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a])	Si[3x5](N[5,6a]C[5,6a,6a]C[6a])2(N[5,6]C[5,6,6a]C[6])2(O[5]C[5,6a])2{10|C<3>,4|H<1>}	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a]){11|C<3>}	O[5](Si[3x5]N[5,6a]2N[5,6]2O[5])(C[5,6a]C[6a,6a]C[5,6a]){11|C<3>}	93.4404	0.000	1	93.4404	0.000	1	93.4404	0.000	1	93.4404	0.000	1	86.6997	4.576	16	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP2	Si[5,5]	O[5]	O[5]	2:2:2:2:2:2:	3:6:	3:6:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O-2:O-2:	C[5,6a]-3:Si[5,5]-6:	C[5,6a]-3:Si[5,5]-6:	Si[5,5](O[5]C[5,6a])4(OP)2	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO)	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO)	Si[5,5](O[5]C[5,6a])4(OP)2{4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO){1|Br<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(Si[5,5]O[5]3OO){1|Br<1>,4|C<3>}	120.0000	51.963	3	120.0000	2700.177	3	120.0000	2700.177	3	120.0000	2700.177	3	134.6808	2465.119	6	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP2	Si[5,5]	O[5]	O[5]	3:3:2:2:1:1:	6:3:	6:3:	N[5]-3:N[5]-3:O[5]-2:O[5]-2:Br-1:Br-1:	Si[5,5]-6:C[5]-3:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5])	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5])	Si[5,5](N[5]N[5]C)2(O[5]C[5])2(Br)2{2|C<3>,2|H<1>}	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,5|C<3>}	O[5](Si[5,5]N[5]2O[5]Br2)(C[5]C[6a]N[5]){1|H<1>,1|N<3>,5|C<3>}	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	180.0000	0.000	1	134.6808	2465.119	6	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP2	Si[5,5]	O[5]	O[5]	3:3:2:2:2:2:	6:3:	6:3:	N[5,5a]-3:N[5,5a]-3:O[5]-2:O[5]-2:N-2:N-2:	Si[5,5]-6:C[5]-3:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a])	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a])	Si[5,5](N[5,5a]C[5,5a]C[5a])2(O[5]C[5])2(NC)2{2|C<4>,6|C<3>}	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a]){7|C<3>}	O[5](Si[5,5]N[5,5a]2O[5]NN)(C[5]C[5,5a]C[6a]){7|C<3>}	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	134.6808	2465.119	6	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP2	Si[5,5]	O[5]	O[5]	4:4:2:2:1:1:	6:3:	6:3:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	Si[5,5]-6:C[5]-3:	Si[5,5]-6:C[5]-3:	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5])	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5])	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5]){1|N<2>,3|C<3>,4|C<4>}	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5]){1|N<2>,3|C<3>,4|C<4>}	88.0858	0.000	1	88.0858	0.000	1	88.0858	0.000	1	88.0858	0.000	1	134.6808	2465.119	6	99.7854	1068.578	22
928	976	976	5:SPD6_SP2_SP3	Si[3x5]	O[5]	O[5]	2:2:2:2:2:2:	6:4:	6:3:	O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:O[5]-2:	Si[3x5]-6:C[5]-4:	Si[3x5]-6:C[5]-3:	Si[3x5](O[5]C[5])6	O[5](Si[3x5]O[5]5)(C[5]C[5]HH)	O[5](Si[3x5]O[5]5)(C[5]C[5]O)	Si[3x5](O[5]C[5])6{3|O<1>,6|H<1>}	O[5](Si[3x5]O[5]5)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>}	O[5](Si[3x5]O[5]5)(C[5]C[5]O){2|C<3>,2|C<4>,2|H<1>}	87.8927	1.861	3	87.8927	3.462	3	87.8927	3.462	3	87.8927	3.462	3	87.8927	3.462	3	87.8927	3.462	3
928	976	999	5:SPD6_SP2_SP3	Si[5,5]	O[5]	N[5]	4:4:2:2:1:1:	6:3:	6:2:4:4:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	Si[5,5]-6:C[5]-3:	Si[5,5]-6:N[5]-2:C-4:C-4:	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5])	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	O[5](Si[5,5]N[5]2O[5]FF)(C[5]C[6a]N[5]){1|N<2>,3|C<3>,4|C<4>}	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	86.7859	4.488	2	86.7859	20.143	2	86.7859	20.143	2	86.7859	20.143	2	86.7859	20.143	2	86.7859	20.143	2
928	999	999	5:SPD6_SP3_SP3	Si[3x5]	N[5,5]	N[5,5]	4:4:4:1:1:1:	6:4:4:4:	6:4:4:4:	N[5,5]-4:N[5,5]-4:N[5,5]-4:F-1:F-1:F-1:	Si[3x5]-6:C[5]-4:C[5]-4:C-4:	Si[3x5]-6:C[5]-4:C[5]-4:C-4:	Si[3x5](N[5,5]C[5]2C)3(F)3	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3)	Si[3x5](N[5,5]C[5]2C)3(F)3{12|H<1>}	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	N[5,5](Si[3x5]N[5,5]2F3)(C[5]C[5]HH)2(CH3){4|C<4>,4|H<1>}	85.3100	0.010	2	85.3100	0.000	2	85.3100	0.000	2	85.3100	0.000	2	85.3100	0.000	2	113.8954	2451.361	3
928	999	999	5:SPD6_SP3_SP3	Si[5,5]	N[5]	N[5]	4:4:2:2:1:1:	6:2:4:4:	6:2:4:4:	N[5]-4:N[5]-4:O[5]-2:O[5]-2:F-1:F-1:	Si[5,5]-6:N[5]-2:C-4:C-4:	Si[5,5]-6:N[5]-2:C-4:C-4:	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2	Si[5,5](N[5]N[5]CC)2(O[5]C[5])2(F)2{2|C<3>}	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	N[5](Si[5,5]N[5]O[5]2FF)(N[5]C[5])(CH3)2{1|N<2>,2|C<3>,2|C<4>}	171.0660	0.000	1	171.0660	0.000	1	171.0660	0.000	1	171.0660	0.000	1	171.0660	0.000	1	113.8954	2451.361	3
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:1:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:H-1:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]H)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]C[6a]S[6a])(H)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]H){1|C<3>,1|C<6>,1|S<2>,4|B<6>,4|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<3>,1|C<6>,6|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]C[6a]S[6a])(H){2|C<3>,5|B<6>}	104.4980	2.005	3	104.4980	4.018	3	104.0727	1.155	9	104.0727	1.155	9	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:1:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:H-1:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]H)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]C)(H)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]H){1|C<3>,1|C<6>,1|S<2>,4|B<6>,4|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<3>,1|C<6>,6|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]C)(H){5|B<6>}	103.7724	0.200	5	103.7724	0.040	5	104.0727	1.155	9	104.0727	1.155	9	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:1:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:H-1:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]H)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]C[5])(H)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]H){1|C<4>,1|C<6>,1|S<2>,4|B<6>,4|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<3>,1|C<6>,6|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]C[5])(H){1|Fe<10>,2|C<4>,5|B<6>}	104.2980	0.000	1	104.2980	0.000	1	104.0727	1.155	9	104.0727	1.155	9	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CCO)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C){1|C<6>,1|S<2>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<6>,2|C<3>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CCO){5|B<6>}	103.5900	0.000	1	103.5900	0.000	1	103.6688	0.173	5	104.1771	1.387	8	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5]O)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C){1|C<6>,1|S<2>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<6>,2|C<3>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5]O){5|B<6>}	104.0790	0.000	1	104.0790	0.000	1	103.6688	0.173	5	104.1771	1.387	8	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5a]O)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C){1|C<6>,1|S<2>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<6>,2|C<3>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[5a]O){5|B<6>}	103.1560	0.000	1	103.1560	0.000	1	103.6688	0.173	5	104.1771	1.387	8	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[6a]O)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C){1|C<6>,1|S<2>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<6>,2|C<3>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(CC[6a]O){5|B<6>}	103.4140	0.000	1	103.4140	0.000	1	103.6688	0.173	5	104.1771	1.387	8	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(COO)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C){1|C<6>,1|S<2>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<6>,2|C<3>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]S[6a]H)(COO){5|B<6>}	104.1050	0.000	1	104.1050	0.000	1	103.6688	0.173	5	104.1771	1.387	8	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:C[6a]-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]2)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]C[6a]2)(C[6a]S[6a]H)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]2){1|C<6>,1|S<2>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<6>,2|C<3>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]C[6a]2)(C[6a]S[6a]H){1|F<1>,1|H<1>,2|C<3>,5|B<6>}	106.6390	0.000	1	105.0243	2.785	3	105.0243	2.785	3	104.1771	1.387	8	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:3:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[6a]-3:C[6a]-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]2)	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]C[6a]2)(C[6a]S[6a]H)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]2){1|C<6>,1|S<2>,2|C<3>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<6>,2|C<3>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[6a]C[6a]2)(C[6a]S[6a]H){2|C<3>,2|H<1>,5|B<6>}	104.2170	1.288	2	105.0243	2.785	3	105.0243	2.785	3	104.1771	1.387	8	104.1611	1.145	18	104.1611	1.145	18
929	27	643	6:SP2_SP2_SPD6	S[6a]	B[5x3,5x5,20x6,6a]	C[6a]	6:3:	6:6:6:6:6:2:	2:4:3:	B[5x3,5x5,20x6,6a]-6:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6,6a]-6:S[6a]-2:	S[6a]-2:C[5]-4:C[6a]-3:	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C[5])	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a])	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[5]C[5]2Fe)(C[6a]S[6a]H)	S[6a](B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4)(C[6a]C[6a]C[5]){1|Fe<10>,1|C<6>,1|S<2>,2|C<4>,4|B<6>,5|H<1>}	B[5x3,5x5,20x6,6a](B[5x3,5x5,20x6]B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]3H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6,6a]B[5x3,5x5,20x6]4S[6a])(S[6a]C[6a]){1|C<3>,1|C<4>,1|C<6>,5|H<1>}	C[6a](S[6a]B[5x3,5x5,20x6,6a])(C[5]C[5]2Fe)(C[6a]S[6a]H){2|C<4>,2|H<1>,5|B<6>}	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	104.8290	0.000	1	104.1611	1.145	18	104.1611	1.145	18
929	371	371	6:SP2_SP2_SP2	S[6a]	N[6a]	N[6a]	2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:	C[6a]-3:S[6a]-2:	C[6a]-3:S[6a]-2:	S[6a](N[6a]C[6a])2	N[6a](C[6a]C[6a]Cl)(S[6a]N[6a])	N[6a](C[6a]C[6a]Cl)(S[6a]N[6a])	S[6a](N[6a]C[6a])2{2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(S[6a]N[6a]){2|C<3>}	N[6a](C[6a]C[6a]Cl)(S[6a]N[6a]){2|C<3>}	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6,6a]	C[6,6a]	3:3:	3:2:2:	3:2:2:	C[6,6a]-3:C[6,6a]-3:	C[6,6a]-3:S[6a]-2:C[6]-2:	C[6,6a]-3:S[6a]-2:C[6]-2:	S[6a](C[6,6a]C[6,6a]C[6])2	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6])	S[6a](C[6,6a]C[6,6a]C[6])2{1|C<3>,4|C<2>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6,6a])(C[6]C[6]){1|C<3>,1|O<1>,2|C<2>}	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	105.4520	0.000	1	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(S[6a]C[6a,6a]){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	104.2950	0.071	2	104.2950	0.005	2	104.2950	0.005	2	103.0080	1.386	5	103.0080	1.386	5	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	102.1960	0.000	1	102.1175	0.012	2	102.1175	0.012	2	103.0080	1.386	5	103.0080	1.386	5	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[5,6]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6])	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[5,6]){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[5,6]C[5,6]C[5])(S[6a]C[6a,6a]){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	102.0390	0.000	1	102.1175	0.012	2	102.1175	0.012	2	103.0080	1.386	5	103.0080	1.386	5	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	102.2150	0.000	1	102.2150	0.000	1	102.2150	0.000	1	103.0080	1.386	5	103.0080	1.386	5	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6,6a]	C[6a]	3:3:	3:4:2:	2:3:1:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S[6a]-2:	S[6a]-2:C[6a]-3:H-1:	S[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a])	C[6a](S[6a]C[6,6a])(C[6a]C[6a]N)(H)	S[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](S[6a]C[6,6a])(C[6a]C[6a]N)(H){1|C<3>,1|C<4>,1|O<1>}	103.9750	0.171	8	103.9750	0.029	8	103.9750	0.029	8	103.9750	0.029	8	103.9750	0.029	8	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6,6a]-3:S[6a]-2:S[6]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6]){1|H<1>,2|C<4>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6]){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	103.6395	0.166	2	103.6395	0.028	2	103.6395	0.028	2	103.6395	0.028	2	102.7530	1.118	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:2:3:	C[6,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6,6a,6a]-3:S[6a]-2:C[6]-3:	S[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H)	S[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H){5|C<3>}	103.8040	0.000	1	103.8040	0.000	1	103.8040	0.000	1	103.8040	0.000	1	102.7530	1.118	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	102.1990	0.000	1	101.8117	0.114	3	101.8117	0.114	3	101.8117	0.114	3	102.7530	1.118	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6,6a]-3:N[6]-3:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6]C[6a]C[6])(S[6a]C[6a,6a]){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	101.6180	0.058	2	101.8117	0.114	3	101.8117	0.114	3	101.8117	0.114	3	102.7530	1.118	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|H<1>,1|S<2>,3|C<3>}	102.2740	0.158	2	102.2740	0.025	2	102.2740	0.025	2	101.0581	1.608	16	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	103.3930	0.000	1	103.3340	0.007	2	103.3340	0.007	2	101.0581	1.608	16	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:N[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(N[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	103.2750	0.000	1	103.3340	0.007	2	103.3340	0.007	2	101.0581	1.608	16	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]F)	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a]){1|F<1>,2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]F){1|S<2>,2|C<3>,2|F<1>}	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2{4|C<3>}	99.2161	0.135	2	99.2161	0.018	2	100.4761	0.610	12	101.0581	1.608	16	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[5a,6a])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a]){1|H<1>,2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[5a,6a])(S[6a]C[6a,6a]){4|C<3>}	101.0787	0.489	4	101.0787	0.239	4	100.4761	0.610	12	101.0581	1.608	16	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a]){1|H<1>,2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2{4|C<3>}	100.4306	0.655	4	100.4943	0.269	6	100.4761	0.610	12	101.0581	1.608	16	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a]){1|H<1>,2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2{4|C<3>}	100.6215	0.103	2	100.4943	0.269	6	100.4761	0.610	12	101.0581	1.608	16	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[3x6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	101.7025	0.400	2	101.7025	0.160	2	101.7025	0.160	2	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[5a,6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[5a,6a,6a]C[5a,6a]N[5a,6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|Cl<1>,5|C<3>}	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	101.0950	0.000	1	101.0950	0.000	1	101.0950	0.000	1	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[5,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	102.5960	0.000	1	102.5960	0.000	1	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|B<4>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]B[6,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,2|N<3>,3|C<3>}	106.6290	0.000	1	106.6290	0.000	1	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	106.3220	0.546	2	106.3467	0.117	10	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|B<3>,2|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]B[6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>}	106.3529	0.327	8	106.3467	0.117	10	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	102.6440	0.000	1	102.6440	0.000	1	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]C){1|O<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]N[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	103.5710	0.000	1	103.5710	0.000	1	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]C){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	104.0940	0.311	2	104.0940	0.097	2	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	103.6314	0.357	14	103.6314	0.127	14	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|O<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]O){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	103.0100	0.000	1	103.0100	0.000	1	104.5466	2.081	31	104.2778	2.673	34	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a]){1|S<2>,3|C<3>}	101.9755	0.053	2	101.9755	0.003	2	101.9755	0.003	2	101.9755	0.003	2	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a]){1|H<1>,1|N<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(N[6a]C[6a,6a])(S[6a]C[6a,6a]){1|C<4>,1|S<2>,3|C<3>}	101.5820	0.232	2	101.5820	0.054	2	101.5820	0.054	2	100.4180	1.018	6	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6,6a]H)(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]S[6a]){1|H<1>,2|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6,6a]H)(S[6a]C[6a,6a]){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[6a,6a])2{4|C<3>}	99.8359	0.568	4	99.8359	0.323	4	99.8359	0.323	4	100.4180	1.018	6	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[3x6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[3x6a]C[6a]){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a]){1|H<1>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	100.1050	0.000	1	100.1050	0.000	1	100.1050	0.000	1	100.9817	0.719	3	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]C)(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]C)(S[6a]C[6a,6a]){1|S<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(S[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	101.4200	0.533	2	101.4200	0.284	2	101.4200	0.284	2	100.9817	0.719	3	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a,6a]	3:3:	3:3:2:	3:3:2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])2	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a])	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]C)(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]S[6a])(C[6a]C[6a,6a]H)(S[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]N[6a]S[6a])(C[6a]C[6a,6a]C)(S[6a]C[6a,6a]){1|S<2>,3|C<3>}	101.9030	0.072	2	101.9030	0.005	2	101.9030	0.005	2	101.9030	0.005	2	102.7870	4.655	63	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:2:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:S[6a]-2:	S[6a]-2:C[6a]-3:C[3]-4:	S[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[3])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H)	S[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[3]){2|C<4>,2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(C[3]C[3]2H){1|C<3>,1|N<2>,1|O<1>,4|H<1>}	103.1590	0.156	2	103.1590	0.024	2	103.1590	0.024	2	103.1590	0.024	2	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:H-1:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	102.5370	0.000	1	103.1775	0.820	2	103.1775	0.820	2	104.6905	3.471	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:H-1:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(H){1|O<1>,2|C<3>}	103.8180	0.000	1	103.1775	0.820	2	103.1775	0.820	2	104.6905	3.471	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:O-1:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(O)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(O){1|H<1>,2|C<3>}	106.6700	0.000	1	106.6700	0.000	1	106.2035	0.435	2	104.6905	3.471	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:O-1:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(O)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|C<3>,3|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(O){1|H<1>,2|C<3>}	105.7370	0.000	1	105.7370	0.000	1	106.2035	0.435	2	104.6905	3.471	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:S-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(SC)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|Cl<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(SC){1|O<1>,2|C<3>}	103.1100	0.000	1	103.1100	0.000	1	102.5990	0.123	4	102.5990	0.123	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:S-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SC[5a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SC[5a]){1|O<1>,2|C<3>}	102.3130	0.000	1	102.3130	0.000	1	102.5990	0.123	4	102.5990	0.123	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:S-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SC[6a]){1|O<1>,2|C<3>}	102.5150	0.000	1	102.5150	0.000	1	102.5990	0.123	4	102.5990	0.123	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:S-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SN)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SN){1|O<1>,2|C<3>}	102.4580	0.000	1	102.4580	0.000	1	102.5990	0.123	4	102.5990	0.123	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCC)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCC){1|O<1>,2|C<3>}	103.6880	0.000	1	103.6880	0.000	1	103.1063	0.447	3	103.2170	0.437	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(COO)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(COO){1|O<1>,2|C<3>}	102.3760	0.000	1	102.3760	0.000	1	103.1063	0.447	3	103.2170	0.437	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:C-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|H<1>,1|O<2>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]O)(CC[6a]O){1|O<1>,2|C<3>}	103.2550	0.000	1	103.2550	0.000	1	103.1063	0.447	3	103.2170	0.437	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){2|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	104.1920	0.000	1	104.1920	0.000	1	103.6530	0.581	2	103.2170	0.437	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:C[6a]-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]2)2	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2){1|H<1>,6|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,2|H<1>,3|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]2)2{1|O<1>,2|H<1>,6|C<3>}	103.1140	0.000	1	103.1140	0.000	1	103.6530	0.581	2	103.2170	0.437	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:N-3:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(NC[3]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N){1|O<2>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]O)(S[6a]C[6a]){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(NC[3]H){1|O<1>,2|C<3>}	102.6770	0.000	1	102.6770	0.000	1	102.6770	0.000	1	103.2170	0.437	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:C-4:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]C)(CCHH){1|O<1>,2|C<3>}	104.4280	0.000	1	104.4280	0.000	1	104.3385	0.016	2	102.8955	2.782	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:C-4:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]Si)(CH3)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C){1|Si<4>,1|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]Si)(CH3){1|O<1>,2|C<3>}	104.2490	0.000	1	104.2490	0.000	1	104.3385	0.016	2	102.8955	2.782	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:S-4:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SC[5a]OO)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SC[5a]OO){1|O<1>,2|C<3>}	101.4190	0.000	1	101.4190	0.000	1	101.4525	0.002	2	102.8955	2.782	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	2:3:4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	S[6a]-2:C[6a]-3:S-4:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){2|H<1>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C[6a](S[6a]C[6a,6a])(C[6a]C[6a]H)(SNOO){1|O<1>,2|C<3>}	101.4860	0.000	1	101.4860	0.000	1	101.4525	0.002	2	102.8955	2.782	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:S[6a]-2:	C[6a]-3:S[6a]-2:H-1:	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(S[6a]C[6a])	C[6a](C[6a]C[6a,6a]C)(S[6a]C[6a,6a])(H)	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(S[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(S[6a]C[6a,6a])(H){3|C<3>}	103.0100	0.000	1	103.0100	0.000	1	103.2873	0.220	4	103.2873	0.220	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:S[6a]-2:	C[6a]-3:S[6a]-2:H-1:	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(S[6a]C[6a])	C[6a](C[6a]C[6a,6a]C)(S[6a]C[6a,6a])(H)	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]C)(S[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]C)(S[6a]C[6a,6a])(H){3|C<3>}	103.6600	0.296	2	103.6600	0.087	2	103.2873	0.220	4	103.2873	0.220	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:1:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:S[6a]-2:	C[6a]-3:S[6a]-2:H-1:	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(H)	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6a]C[6a]){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(H){3|C<3>}	102.8190	0.000	1	102.8190	0.000	1	103.2873	0.220	4	103.2873	0.220	4	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a]-3:S[6a]-2:S-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](C[6a]C[6a]N[5a])(S[6a]C[6a,6a])(SC)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|F<1>,1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(S[6a]C[6a,6a])(SC){1|N<2>,1|O<1>,3|C<3>}	103.6974	0.242	5	103.5932	0.112	6	103.5932	0.112	6	103.5932	0.112	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:S[6a]-2:	C[6a]-3:S[6a]-2:S-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](C[6a]C[6a]N[5a])(S[6a]C[6a,6a])(SC)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]S){1|H<1>,1|N<3>,3|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(C[6a]C[6a]H)(S[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(S[6a]C[6a,6a])(SC){1|N<2>,1|O<1>,3|C<3>}	103.0720	0.000	1	103.5932	0.112	6	103.5932	0.112	6	103.5932	0.112	6	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[6a]	3:3:	3:3:2:	3:2:3:	C[6a,6a]-3:C[6a]-3:	C[3x6a]-3:C[6a]-3:S[6a]-2:	C[6a]-3:S[6a]-2:C[5a]-3:	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6a]C[6a])	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]2)	S[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6a]C[6a]){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a,6a]H)(S[6a]C[6a,6a])(C[5a]N[5a]2){1|C<4>,5|C<3>}	103.1280	0.000	1	103.1280	0.000	1	103.1280	0.000	1	103.1280	0.000	1	103.3612	1.114	31	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a]	C[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:S[6a]-2:C[6a]-3:	C[3x6a]-3:N[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a])	S[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]2){6|C<3>}	C[6a](C[6a]C[6a,6a]C[6a])(S[6a]C[6a,6a])(C[6a]C[6a]2){1|N<2>,2|H<1>,6|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])(S[6a]C[6a]){6|C<3>}	103.7910	0.000	1	103.7910	0.000	1	103.7910	0.000	1	103.7910	0.000	1	103.7910	0.000	1	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:S[6a]-2:H-1:	S[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN)	C[6a](C[6a]C[6a]H)(S[6a]C[6a])(H)	S[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a])(S[6a]C[6a])(NCN){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(S[6a]C[6a])(H){1|N<2>,1|N<3>,1|O<1>}	98.6657	0.000	1	98.6657	0.000	1	98.6657	0.000	1	100.5798	7.328	2	102.0143	3.132	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a]	C[6a]	3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:S[6a]-2:O-1:	S[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(S[6a]C[6a])(O)	S[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)(S[6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>}	102.4940	0.000	1	102.4940	0.000	1	102.4940	0.000	1	100.5798	7.328	2	102.0143	3.132	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a]	C[6a]	3:3:	2:4:2:	3:2:1:	C[6a]-3:C[6a]-3:	N[6a]-2:C[5]-4:S[6a]-2:	C[6a,6a]-3:S[6a]-2:O-1:	S[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5])	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(S[6a]C[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6a])(O)	S[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C[5]){1|Fe<10>,2|C<3>,2|C<4>}	C[6a](N[6a]C[6a,6a])(C[5]C[5]2Fe)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	103.3600	0.000	1	103.3600	0.000	1	103.3600	0.000	1	103.3600	0.000	1	102.0143	3.132	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a]	C[6a]	3:3:	3:2:1:	2:2:3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:S[6a]-2:O-1:	N[6a]-2:S[6a]-2:N-3:	S[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O)	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH)	S[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a,6])(S[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|S<2>}	103.5450	0.000	1	103.5450	0.000	1	103.5450	0.000	1	103.5450	0.000	1	102.0143	3.132	6	103.0121	3.136	121
929	643	643	6:SP2_SP2_SP2	S[6a]	C[6a]	C[6a]	3:3:	3:2:2:	3:2:1:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:S[6a]-2:	C[6a]-3:S[6a]-2:H-1:	S[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a])	C[6a](C[6a]C[6a]O)(S[6a]C[6a])(H)	S[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(S[6a]C[6a]){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]O)(S[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<1>}	102.0105	0.255	2	102.0105	0.065	2	102.0105	0.065	2	102.0105	0.065	2	102.0143	3.132	6	103.0121	3.136	121
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[5,6a]-3:S[6a]-2:S[5]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5,6a])(C[6a]C[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(S[6a]C[6a,6a])(S[5]C[5])	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]S[5]){1|C<4>,1|H<1>,4|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5,6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(S[6a]C[6a,6a])(S[5]C[5]){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	101.2120	0.000	1	101.2120	0.000	1	101.2120	0.000	1	101.2120	0.000	1	101.2120	0.000	1	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:S[6a]-2:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]S[6a])	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[5a,6a])(S[6a]C[6a,6a])	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C)	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]S[6a]){1|C<4>,2|C<3>,3|S<2>}	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[5a,6a])(S[6a]C[6a,6a]){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C){1|C<3>,1|C<4>,1|S<2>}	100.4733	0.302	4	100.4733	0.091	4	100.9663	0.431	14	100.9663	0.431	14	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:2:	3:2:3:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:S[6a]-2:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]S[6a])	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[5a,6a])2	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C)	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]S[6a]){1|C<4>,2|C<3>,3|S<2>}	C[6a,6a](C[6a,6a]S[6a]2)(S[6a]C[5a,6a])2{4|C<3>}	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[6a,6a])(C[5a]S[5a]C){1|C<3>,1|C<4>,1|S<2>}	101.1636	0.664	10	101.1636	0.441	10	100.9663	0.431	14	100.9663	0.431	14	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	S[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H){1|Cl<1>,1|H<1>,1|N<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){5|C<3>}	102.4250	0.000	1	102.9280	0.289	3	102.9280	0.289	3	101.8759	1.343	7	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	S[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){5|C<3>}	103.4940	0.000	1	102.9280	0.289	3	102.9280	0.289	3	101.8759	1.343	7	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	S[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){5|C<3>}	102.8650	0.000	1	102.9280	0.289	3	102.9280	0.289	3	101.8759	1.343	7	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a]-3:S[6a]-2:S[5a]-2:	S[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a])	S[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a]){1|N<2>,1|O<1>,3|C<3>}	101.6090	0.000	1	100.8473	0.490	3	100.8473	0.490	3	101.8759	1.343	7	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a]-3:S[6a]-2:S[5a]-2:	S[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a])	S[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(S[6a]C[6a,6a])(S[5a]C[5a]){1|N<3>,1|O<1>,3|C<3>}	100.4665	0.332	2	100.8473	0.490	3	100.8473	0.490	3	101.8759	1.343	7	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a])	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a,6a]){1|O<1>,4|C<3>}	101.8050	0.000	1	101.8050	0.000	1	101.8050	0.000	1	101.8759	1.343	7	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	C[5a,6a]	3:3:	3:2:3:	3:3:2:	C[6a,6a]-3:C[5a,6a]-3:	C[3x6a]-3:S[6a]-2:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:S[6a]-2:	S[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2)	C[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[3x6a]C[6a])(C[5a,6a]C[5a,6a]2){1|H<1>,1|S<2>,5|C<3>}	C[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]S[5a])(S[6a]C[6a,6a]){1|H<1>,5|C<3>}	102.1600	0.000	1	102.1600	0.000	1	102.1600	0.000	1	102.1600	0.000	1	101.3100	0.871	22	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a]	C[5a,6a]	3:3:	2:3:2:	3:3:2:	C[5a,6a]-3:C[6a]-3:	S[6a]-2:C[6a]-3:S-2:	C[5a,6a]-3:C[5a,6a]-3:S[6a]-2:	S[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S)	C[6a](S[6a]C[5a,6a])(C[6a]S[6a]S)(SC)	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a])(S[6a]C[6a])	S[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]S){2|S<2>,3|C<3>}	C[6a](S[6a]C[5a,6a])(C[6a]S[6a]S)(SC){2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]S[6a])(S[6a]C[6a]){1|H<1>,1|S<2>,4|C<3>}	99.8408	0.324	3	99.8408	0.105	3	99.8408	0.105	3	99.8408	0.105	3	100.1247	1.410	7	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a]	C[5a,6a]	3:3:	2:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:	S[6a]-2:C[6a]-3:C-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(COO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(COO){1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>}	98.9949	0.000	1	99.0262	0.002	2	99.0262	0.002	2	99.6715	1.250	3	100.1247	1.410	7	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a]	C[5a,6a]	3:3:	2:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:	S[6a]-2:C[6a]-3:C-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(COO)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(COO){1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|O<1>,3|C<3>}	99.0575	0.000	1	99.0262	0.002	2	99.0262	0.002	2	99.6715	1.250	3	100.1247	1.410	7	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a]	C[5a,6a]	3:3:	2:3:3:	3:2:2:	C[5a,6a]-3:C[6a]-3:	S[6a]-2:C[6a]-3:C[6a]-3:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a])	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(N[5a]C[5a])(S[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>}	100.9620	0.000	1	100.9620	0.000	1	100.9620	0.000	1	99.6715	1.250	3	100.1247	1.410	7	101.0302	1.180	30
929	643	727	6:SP2_SP2_SP2	S[6a]	C[6a]	C[5a,6a]	3:3:	2:3:4:	3:2:2:	C[5a,6a]-3:C[6a]-3:	S[6a]-2:C[6a]-3:C-4:	N[5a,6a]-3:N[5a]-2:S[6a]-2:	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(CH3)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a])	S[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	C[6a](S[6a]C[5a,6a])(C[6a]C[6a]H)(CH3){1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(S[6a]C[6a]){1|C<4>,1|O<1>,3|C<3>}	102.3360	0.000	1	102.3360	0.000	1	102.3360	0.000	1	102.3360	0.000	1	100.1247	1.410	7	101.0302	1.180	30
929	643	927	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	B[6a,6a]	3:3:	3:2:3:	3:2:2:	C[6a,6a]-3:B[6a,6a]-3:	C[6a,6a]-3:S[6a]-2:C[6a]-3:	C[3x6a]-3:S[6a]-2:S[6a]-2:	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a])	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]B[6a,6a])(C[6a]C[6a]H)	B[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])2	S[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]S[6a]){1|H<1>,5|C<3>}	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(S[6a]B[6a,6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,3|C<3>}	B[6a,6a](C[3x6a]C[6a,6a]2)(S[6a]C[6a,6a])2{6|C<3>}	103.0030	0.165	2	103.0030	0.027	2	103.0030	0.027	2	103.0030	0.027	2	103.0030	0.027	2	103.0030	0.027	2
929	643	929	6:SP2_SP2_SP2	S[6a]	C[6,6a]	S[6a]	3:2:	3:3:2:	2:2:	C[6,6a]-3:S[6a]-2:	C[6,6a]-3:C[6]-3:S[6a]-2:	S[6a]-2:S[6a]-2:	S[6a](C[6,6a]C[6,6a]C[6])(S[6a]S[6a])	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a])	S[6a](S[6a]C[6,6a])(S[6a]S[6a])	S[6a](C[6,6a]C[6,6a]C[6])(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	S[6a](S[6a]C[6,6a])(S[6a]S[6a]){2|C<3>}	104.1695	1.169	2	104.1695	1.366	2	104.1695	1.366	2	104.1695	1.366	2	104.1695	1.366	2	101.4328	4.271	10
929	643	929	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	S[6a]	3:2:	3:3:2:	3:2:	C[6a,6a]-3:S[6a]-2:	C[3x6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]H)(S[6a]S[6a])	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[3x6a]2)(C[6a]C[6a]H)(S[6a]S[6a]){1|H<1>,4|C<3>}	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a]){1|H<1>,4|C<3>}	99.9330	0.335	3	99.9330	0.112	3	99.4306	1.084	4	99.4306	1.084	4	99.4306	1.084	4	101.4328	4.271	10
929	643	929	6:SP2_SP2_SP2	S[6a]	C[6a,6a]	S[6a]	3:2:	3:3:2:	3:2:	C[6a,6a]-3:S[6a]-2:	C[3x6a]-3:C[6a]-3:S[6a]-2:	C[6a,6a]-3:S[6a]-2:	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a])	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6a]S[6a])	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a])	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a]){1|H<1>,4|C<3>}	C[6a,6a](C[3x6a]C[5a,6a,6a]C[3x6a])(C[6a]C[6a]H)(S[6a]S[6a]){1|H<1>,4|C<3>}	S[6a](C[6a,6a]C[3x6a]C[6a])(S[6a]C[6a,6a]){1|H<1>,4|C<3>}	97.9236	0.000	1	97.9236	0.000	1	99.4306	1.084	4	99.4306	1.084	4	99.4306	1.084	4	101.4328	4.271	10
929	643	929	6:SP2_SP2_SP2	S[6a]	C[6a]	S[6a]	3:2:	2:2:3:	3:2:	C[6a]-3:S[6a]-2:	S[6a]-2:S[6a]-2:C-3:	C[6a]-3:S[6a]-2:	S[6a](C[6a]S[6a]C)(S[6a]C[6a])	C[6a](S[6a]S[6a])2(CC[6a]Cl)	S[6a](C[6a]S[6a]C)(S[6a]C[6a])	S[6a](C[6a]S[6a]C)(S[6a]C[6a]){1|C<3>,1|S<2>}	C[6a](S[6a]S[6a])2(CC[6a]Cl){1|C<3>}	S[6a](C[6a]S[6a]C)(S[6a]C[6a]){1|C<3>,1|S<2>}	102.0665	0.632	4	102.0665	0.399	4	102.0665	0.399	4	102.0665	0.399	4	102.0665	0.399	4	101.4328	4.271	10
929	727	727	6:SP2_SP2_SP2	S[6a]	C[5a,6a]	C[5,6a]	3:3:	3:2:3:	3:2:2:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5,6a]-3:S[6a]-2:N[5]-2:	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5])	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C)	C[5,6a](C[5,6a]N[6a]S[5])(S[6a]C[5a,6a])(N[5]S[5])	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]N[5]){1|C<4>,1|N<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(S[6a]C[5,6a])(C[5a]N[5a]C){1|C<3>,1|C<4>,1|N<2>}	C[5,6a](C[5,6a]N[6a]S[5])(S[6a]C[5a,6a])(N[5]S[5]){2|C<3>}	98.8305	0.000	1	98.8305	0.000	1	98.8305	0.000	1	98.8305	0.000	1	96.7724	3.182	3	96.7724	3.182	3
929	727	727	6:SP2_SP2_SP2	S[6a]	C[5a,6a]	C[5,6a]	3:3:	3:2:3:	3:2:3:	C[5a,6a]-3:C[5,6a]-3:	C[5a,6a]-3:S[6a]-2:C[5a]-3:	C[5,6a]-3:S[6a]-2:C[5]-3:	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5])	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[5,6a])(C[5a]N[5a]O)	C[5,6a](C[5,6a]S[6a]C[5])(S[6a]C[5a,6a])(C[5]N[5]O)	S[6a](C[5a,6a]C[5a,6a]C[5a])(C[5,6a]C[5,6a]C[5]){1|S<2>,2|C<3>,2|N<3>,2|O<1>}	C[5a,6a](C[5a,6a]C[5a]S[6a])(S[6a]C[5,6a])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|C<3>}	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>}	95.7434	0.106	2	95.7434	0.011	2	95.7434	0.011	2	95.7434	0.011	2	96.7724	3.182	3	96.7724	3.182	3
929	727	929	6:SP2_SP2_SP2	S[6a]	C[5a,6a]	S[6a]	3:2:	3:3:2:	3:2:	C[5a,6a]-3:S[6a]-2:	C[5a,6a]-3:N[5a]-3:S[6a]-2:	C[5a,6a]-3:S[6a]-2:	S[6a](C[5a,6a]C[5a,6a]N[5a])(S[6a]C[5a,6a])	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a])	S[6a](C[5a,6a]C[5a,6a]N[5a])(S[6a]C[5a,6a])	S[6a](C[5a,6a]C[5a,6a]N[5a])(S[6a]C[5a,6a]){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]S[5a])(N[5a]C[5a]C)(S[6a]S[6a]){1|C<3>,1|S<1>,1|S<2>}	S[6a](C[5a,6a]C[5a,6a]N[5a])(S[6a]C[5a,6a]){1|C<4>,1|N<3>,1|S<2>,2|C<3>}	97.1433	0.071	4	97.1433	0.005	4	97.1433	0.005	4	97.1433	0.005	4	97.1433	0.005	4	97.1433	0.005	4
929	929	929	6:SP2_SP2_SP2	S[6a]	S[6a]	S[6a]	2:2:	3:2:	2:2:	S[6a]-2:S[6a]-2:	C[6,6a]-3:S[6a]-2:	S[6a]-2:S[6a]-2:	S[6a](S[6a]C[6,6a])(S[6a]S[6a])	S[6a](C[6,6a]C[6,6a]C[6])(S[6a]S[6a])	S[6a](S[6a]C[6,6a])(S[6a]S[6a])	S[6a](S[6a]C[6,6a])(S[6a]S[6a]){2|C<3>}	S[6a](C[6,6a]C[6,6a]C[6])(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	S[6a](S[6a]C[6,6a])(S[6a]S[6a]){2|C<3>}	99.0827	0.131	2	99.0827	0.017	2	99.0827	0.017	2	99.0827	0.017	2	99.0827	0.017	2	99.0827	0.017	2
930	2	2	0:SP2_SP2_SP2	C	B[5]	B[5]	3:3:3:	2:2:3:	2:2:3:	B[5]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	O[5]-2:O[5]-2:C-3:	C(B[5]O[5]2)2(CCH)	B[5](O[5]C[5])2(CB[5]C)	B[5](O[5]C[5])2(CB[5]C)	C(B[5]O[5]2)2(CCH)	B[5](O[5]C[5])2(CB[5]C){4|C<4>}	B[5](O[5]C[5])2(CB[5]C){4|C<4>}	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	119.2025	13.839	2	119.2025	13.839	2
930	2	2	0:SP2_SP2_SP2	C	B[5]	B[5]	3:3:3:	3:2:3:	2:2:3:	B[5]-3:B[5]-3:C-3:	O[5]-3:O[5]-2:C-3:	O[5]-2:O[5]-2:C-3:	C(B[5]O[5]2)2(CCoC)	B[5](O[5]C[5]Co)(O[5]C[5])(CB[5]C)	B[5](O[5]C[5])2(CB[5]C)	C(B[5]O[5]2)2(CCoC)	B[5](O[5]C[5]Co)(O[5]C[5])(CB[5]C){4|C<4>}	B[5](O[5]C[5])2(CB[5]C){4|C<4>}	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	119.2025	13.839	2	119.2025	13.839	2
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:3:4:	2:2:3:	3:1:1:1:	B[5]-3:C-3:C-4:	O[5]-2:O[5]-2:C-3:	C-3:H-1:H-1:H-1:	C(B[5]O[5]2)(CC[6a]H)(CH3)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(H)3	C(B[5]O[5]2)(CC[6a]H)(CH3)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(H)3	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	114.4155	9.431	4	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:3:4:	2:2:3:	3:1:1:1:	B[5]-3:C[5]-3:C-4:	O[5]-2:O[5]-2:C-3:	C-3:H-1:H-1:H-1:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C)	C(CB[5]C[5])(H)3	C(B[5]O[5]2)(C[5]C[5]2)(CH3)	B[5](O[5]C[5])2(CC[5]C){4|C<4>}	C(CB[5]C[5])(H)3	113.1920	2.273	3	113.1920	5.165	3	113.1920	5.165	3	114.4155	9.431	4	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:3:4:	2:2:3:	3:3:3:1:	B[5]-3:C-3:C-4:	O[5]-2:O[5]-2:C-3:	C-3:C-3:C-3:H-1:	C(B[5]O[5]2)(CC[3]H)(CCCH)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(CCH)2(H)	C(B[5]O[5]2)(CC[3]H)(CCCH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(CCH)2(H)	120.4810	0.000	1	120.4810	0.000	1	119.9873	0.517	3	119.9873	0.517	3	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:3:4:	2:2:3:	3:3:3:1:	B[5]-3:C-3:C-4:	O[5]-2:O[5]-2:C-3:	C-3:C-3:C-3:H-1:	C(B[5]O[5]2)(CC[3]H)(CCCH)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)2(CCH)(H)	C(B[5]O[5]2)(CC[3]H)(CCCH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)2(CCH)(H)	119.7405	0.818	2	119.7405	0.669	2	119.9873	0.517	3	119.9873	0.517	3	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:4:3:	2:2:3:	3:1:1:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C-3:H-1:H-1:H-1:	C(B[5]O[5]2)(CH3)(CCH)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(H)3	C(B[5]O[5]2)(CH3)(CCH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(H)3	115.9280	0.000	1	115.9280	0.000	1	115.9280	0.000	1	115.9280	0.000	1	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:4:3:	2:2:3:	3:3:1:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	B[6a]-3:C-3:H-1:H-1:	C(B[5]O[5]2)(CB[6a]HH)(CC[6a]2)	B[5](O[5]C[5])2(CCC)	C(B[6a]N[6a]2)(CB[5]C)(H)2	C(B[5]O[5]2)(CB[6a]HH)(CC[6a]2)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(B[6a]N[6a]2)(CB[5]C)(H)2	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:4:3:	2:2:3:	3:3:3:4:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C-3:C-3:C-4:	C(B[5]O[5]2)(CC[6a]CC)(CHH)	B[5](O[5]C[5])2(CCC)	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	C(B[5]O[5]2)(CC[6a]CC)(CHH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[6a]C[6a]2)(CC[6a]O)(CB[5]C)(CCHH)	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	118.3870	0.000	1	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:4:3:	2:2:3:	3:4:1:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	C-3:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)(CHO)	B[5](O[5]C[5])2(CCC)	C(CB[5]C)(CCHH)(H)2	C(B[5]O[5]2)(CCHH)(CHO)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(CB[5]C)(CCHH)(H)2	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	121.0780	0.000	1	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	3:4:3:	2:2:3:	4:3:1:1:	B[5]-3:C-4:C-3:	O[5]-2:O[5]-2:C-3:	S-4:C-3:H-1:H-1:	C(B[5]O[5]2)(CHHS)(CHH)	B[5](O[5]C[5])2(CCC)	C(SC[6a]OO)(CB[5]C)(H)2	C(B[5]O[5]2)(CHHS)(CHH)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(SC[6a]OO)(CB[5]C)(H)2	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	119.3810	0.000	1	117.1300	10.229	14	117.1300	10.229	14
930	2	490	0:SP2_SP2_SP3	C	B[5]	C	4:3:1:	2:2:3:	3:3:3:4:	C-4:B[5]-3:C-1:	O[5]-2:O[5]-2:C-3:	C[6a]-3:B[5]-3:C-3:C-4:	C(CC[6a]B[5]C)(B[5]O[5]2)(C)	B[5](O[5]C[5])2(CCC)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	C(CC[6a]B[5]C)(B[5]O[5]2)(C)	B[5](O[5]C[5])2(CCC){4|C<4>}	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	117.6165	1.059	2	117.6165	1.121	2	117.6165	1.121	2	117.6165	1.121	2	117.1300	10.229	14	117.1300	10.229	14
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B[5]-3:O-1:	N[5]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]N[5]2)(O)	B[5](N[5]C[6a]C[5])2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(CB[5]O)	C(C[6a]C[6a]2)(B[5]N[5]2)(O)	B[5](N[5]C[6a]C[5])2(CC[6a]O){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CB[5]O){1|C<3>,2|H<1>}	121.4710	0.000	2	121.4710	0.000	2	121.4710	0.000	2	121.4710	0.000	2	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C-3:C[6a]-3:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(CB[5a]C[6a])(C[6a]C[6a]2)(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	118.1450	0.000	1	118.1450	0.000	1	118.1450	0.000	1	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|Br<1>,1|C<3>,1|H<1>}	119.2420	0.000	1	119.3825	1.455	6	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CBH)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	119.4106	1.346	5	119.3825	1.455	6	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCC)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCC)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	114.7030	0.000	1	114.7030	0.000	1	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	117.6510	0.241	3	117.6510	0.058	3	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Br)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	115.6990	0.000	1	115.6990	0.000	1	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CB[5]C){1|C<3>,2|H<1>}	119.8565	0.103	2	119.8565	0.011	2	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]H)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	117.7447	0.913	3	117.7447	0.834	3	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]Si)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	112.2137	0.538	3	112.2137	0.290	3	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CHS)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	120.9550	0.000	1	120.9550	0.000	1	117.5097	7.848	20	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C-3:B[5]-3:	O[5]-2:O[5]-2:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(CB[5]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(B[5]O[5]2)	B[5](O[5]C[5])2(CC[6a]C){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C){1|C<3>,2|H<1>}	114.3315	3.584	2	114.3315	12.847	2	114.3315	12.847	2	117.2609	8.233	23	117.5842	7.660	29	117.5842	7.660	29
930	2	643	0:SP2_SP2_SP2	C	B[5]	C[6a]	3:3:3:	3:2:2:	3:3:3:	C[6a]-3:B[5]-3:C[5]-3:	C-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]C[5])	C(C[6a]C[6a]2)(B[5]O[5]2)(C[5]C[5]2)	B[5](CC[6a]C[5])(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]C[5]){1|C<3>,2|H<1>}	117.5000	0.481	4	117.5000	0.231	4	117.5000	0.231	4	117.5000	0.231	4	117.5842	7.660	29	117.5842	7.660	29