643	286	727	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[5,6a]	3:3:2:	3:3:	3:3:4:	C[6,6a,6a]-3:C[5,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5,6a,6a]-3:C[6,6a]-3:C[5,6]-4:	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a])	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6a]C[5,6a,6a]C[5,6])(S[6]C[6,6a]){1|H<1>,1|O<2>,7|C<3>}	S[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){1|C<4>,6|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[6,6a]C[6,6a,6a]S[6])(C[5,6]C[5,6,6a]O[6]H){1|C<4>,6|C<3>}	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	120.9700	0.000	1	118.9487	6.176	3	119.2605	2.711	6
643	286	727	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	119.7020	0.000	1	119.7020	0.000	1	117.9380	6.223	2	117.9380	6.223	2	118.9487	6.176	3	119.2605	2.711	6
643	286	727	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[5,6a]	3:3:2:	3:4:	3:3:3:	C[6,6a]-3:C[5,6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5,6a]-3:C[5,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6])	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[6a,6a]S[6])(C[5,6a]C[5,6a]2)(S[6]C[6]){2|C<4>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH){1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5,6a]C[6a,6a]C[5])(C[6,6a]C[6,6a]S[6]){1|C<4>,1|H<1>,1|S<2>,6|C<3>}	116.1740	0.000	1	116.1740	0.000	1	117.9380	6.223	2	117.9380	6.223	2	118.9487	6.176	3	119.2605	2.711	6
643	286	727	0:SP2_SP2_SP2	C[6,6a]	S[6]	C[5a,6a]	3:3:2:	3:3:	3:3:3:	C[5a,6a]-3:C[6,6a]-3:S[6]-2:	C[6,6a]-3:C[6,6a]-3:	C[5a,6a]-3:C[6,6a]-3:N[5a]-3:	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a])	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]N[6])(S[6]C[6,6a]){2|H<1>,6|C<3>}	S[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a]){1|H<1>,2|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6,6a]C[6,6a]S[6])(N[5a]C[5a,6a]H){1|N<3>,5|C<3>}	119.5723	0.557	3	119.5723	0.311	3	119.5723	0.311	3	119.5723	0.311	3	119.5723	0.311	3	119.2605	2.711	6
643	286	727	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[5a,6,6a]	3:2:2:	3:4:	3:3:3:	C[5a,6,6a]-3:N[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6])	S[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]HH)	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[6a])(S[6]C[6]){1|C<3>,1|C<4>,1|N<2>,2|H<1>,2|N<3>}	S[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]HH){2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]N[5a]N[6a])(C[5a,6]C[5a]C[6])(C[6,6a]N[6a]S[6]){1|C<3>,1|C<4>,4|H<1>}	117.9630	0.000	1	117.9630	0.000	1	117.9630	0.000	1	117.9630	0.000	1	117.9315	0.002	2	117.9315	0.002	2
643	286	727	6:SP2_SP2_SP2	C[6,6a]	S[6]	C[5a,6,6a]	3:3:2:	3:4:	3:3:3:	C[5a,6,6a]-3:C[6a]-3:S[6]-2:	C[6,6a]-3:C[6]-4:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6])	S[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6])	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(S[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	S[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6,6a](C[5a,6a]C[6a]N[5a])(C[5a,6]C[5a]C[6])(C[6,6a]C[6a]S[6]){1|C<3>,2|C<4>,5|H<1>}	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	117.9000	0.000	1	117.9315	0.002	2	117.9315	0.002	2
643	286	929	0:SP2_SP2_SP2	C[6,6a]	S[6]	S[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:S[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	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>}	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H){1|C<4>,1|H<1>,4|C<3>}	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>}	108.5620	0.000	1	108.3735	0.071	2	108.3735	0.071	2	108.3735	0.071	2	108.3735	0.071	2	108.3735	0.071	2
643	286	929	0:SP2_SP2_SP2	C[6,6a]	S[6]	S[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:S[6a]-2:S[6]-2:	C[6,6a]-3:C[6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(S[6a]C[6a,6a])(S[6]C[6])	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H)	S[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	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>}	S[6](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]N[6]H){2|C<4>,4|C<3>}	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>}	108.1850	0.000	1	108.3735	0.071	2	108.3735	0.071	2	108.3735	0.071	2	108.3735	0.071	2	108.3735	0.071	2
643	286	933	0:SP2_SP2_SP2	C[6,6a]	S[6]	O[6a]	3:2:2:	3:4:	3:3:	C[6,6a]-3:O[6a]-2:S[6]-2:	C[6,6a]-3:C[5,6]-4:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6])	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]S[6])	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(S[6]C[5,6]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	S[6](C[6,6a]C[6,6a]O[6a])(C[5,6]O[5,6]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O[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>}	108.9805	0.499	2	108.9805	0.249	2	108.9805	0.249	2	108.9805	0.249	2	108.9805	0.249	2	108.9805	0.249	2
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:2:2:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-2:C-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeClCC)	Ge(C[6a]C[6a]2)(CC)2(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeClCC){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(CC)2(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.5085	1.942	2	120.5085	3.773	2	120.5085	3.773	2	120.5085	3.773	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:2:2:2:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:S-2:S-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeNSS)	Ge(C[6a]C[6a]2)(SC[6a])2(NC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeNSS){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)(SC[6a])2(NC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.3620	0.993	2	120.3620	0.986	2	120.3620	0.986	2	120.3620	0.986	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:1:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2)	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|C<4>}	116.9005	0.199	2	116.9005	0.039	2	116.9005	0.039	2	116.9005	0.039	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeC[6a]HH)	Ge(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeC[6a]HH){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)2(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.8530	1.458	2	120.8530	2.126	2	120.8530	2.126	2	120.8530	2.126	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2)	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(GeC[6a]Cl2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(Cl)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	125.2270	0.044	2	125.2270	0.002	2	125.2270	0.002	2	125.2270	0.002	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-3:C-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeClCC)	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeClCC){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(CGaC)(CC)(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.2380	0.286	2	120.2380	0.082	2	120.2380	0.082	2	120.3660	2.600	6	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:2:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C-2:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC)	Ge(C[6a]C[6a]2)2(CC)(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]ClC){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(CC)(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.4300	2.071	4	120.4300	4.290	4	120.4300	4.290	4	120.3660	2.600	6	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeC[6a]CH)	Ge(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeC[6a]CH){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	120.7165	1.475	4	120.7165	2.175	4	120.7165	2.175	4	120.7165	2.175	4	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:2:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C-2:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]CC)	Ge(C[6a]C[6a]2)2(CC)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]CC){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(CC)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7472	0.996	56	120.7472	0.992	56	120.7472	0.992	56	120.7472	0.992	56	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Br)	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Br){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	120.8243	0.709	6	120.8243	0.503	6	120.8243	0.503	6	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Cl){1|C<3>,2|F<1>}	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	121.8710	3.106	6	121.8710	9.645	6	121.8710	9.645	6	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.6893	1.949	6	121.6893	3.799	6	120.5323	2.531	38	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	116.7587	2.317	3	116.7587	5.369	3	120.5323	2.531	38	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|F<1>,1|H<1>}	120.7063	0.751	6	120.6832	0.447	29	120.5323	2.531	38	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Cl){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.6772	0.664	23	120.6832	0.447	29	120.5323	2.531	38	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F)	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<4>}	113.7320	1.053	3	113.7320	1.108	3	118.3757	13.549	9	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2F)	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2F){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.6975	1.352	6	120.6975	1.827	6	118.3757	13.549	9	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(GeC[6a]2H){1|C<3>,2|F<1>}	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	121.9508	2.425	6	121.9508	5.880	6	121.9508	5.880	6	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.7630	0.800	3	121.7630	0.640	3	120.1998	3.599	6	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|P<3>}	118.6367	1.013	3	118.6367	1.026	3	120.1998	3.599	6	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:I-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2I)	Ge(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2I){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(I)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.6446	0.725	12	120.6446	0.526	12	120.6446	0.526	12	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:N-3:N-3:F-1:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(GeFNN)	Ge(C[6a]C[6a]2)(NCC)2(F)	C[6a](C[6a]C[6a]Ge)(C[6a]N[6a]F)(F)	C[6a](C[6a]C[6a]F)2(GeFNN){1|N<2>,2|F<1>}	Ge(C[6a]C[6a]2)(NCC)2(F)	C[6a](C[6a]C[6a]Ge)(C[6a]N[6a]F)(F){1|C<3>,1|F<1>}	123.0410	4.174	4	123.0410	17.425	4	123.0410	17.425	4	120.6274	5.217	87	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Br-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br)	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]O)2(GeC[6a]2Br){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,1|H<1>,1|O<2>}	120.7233	3.246	6	120.7233	10.537	6	120.7233	10.537	6	120.1453	5.832	15	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2Cl){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	119.5173	2.141	6	119.5173	4.584	6	119.5173	4.584	6	120.1453	5.832	15	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]2H){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	120.2453	0.906	3	120.2453	0.821	3	120.2453	0.821	3	120.1453	5.832	15	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Cl-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl)	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2Cl){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(Cl)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	123.9183	2.242	3	123.9183	5.027	3	123.9183	5.027	3	122.0544	4.344	14	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H)	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2H){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2){1|C<3>,2|H<1>}	122.7630	1.199	3	122.7630	1.438	3	122.7630	1.438	3	122.0544	4.344	14	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeC[6a]HN)	Ge(C[6a]C[6a]2)2(NHH)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)2(NHH)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	121.1660	1.772	4	121.1660	3.141	4	121.0896	3.451	8	122.0544	4.344	14	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)2(GeC[6a]HN)	Ge(C[6a]C[6a]2)2(NHN)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)2(GeC[6a]HN){2|H<1>,5|C<3>}	Ge(C[6a]C[6a]2)2(NHN)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	121.0132	2.213	4	121.0132	4.897	4	121.0896	3.451	8	122.0544	4.344	14	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:P-4:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F)	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2Cu)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(GeC[6a]2F){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(PC[6a]2Cu){1|C<3>,2|H<1>}	127.6257	1.158	3	127.6257	1.342	3	127.6257	1.342	3	127.6257	1.342	3	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7425	1.405	6	120.7425	1.974	6	120.7792	1.138	12	120.9261	1.428	78	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CMo)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CMo)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.8160	0.726	6	120.8160	0.527	6	120.7792	1.138	12	120.9261	1.428	78	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2O)	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2O){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(OO)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7879	0.845	18	120.7879	0.714	18	120.7879	0.714	18	120.9261	1.428	78	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	Ge(C[6a]C[6a]2)3(PC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(PC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.1255	1.346	24	121.1255	1.812	24	121.0478	1.517	36	120.9261	1.428	78	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	Ge(C[6a]C[6a]2)3(PC[5])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(PC[5])	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.8924	0.999	12	120.8924	0.999	12	121.0478	1.517	36	120.9261	1.428	78	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2S)	Ge(C[6a]C[6a]2)3(SFe)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2S){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(SFe)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.0460	1.351	6	121.0460	1.824	6	121.0460	1.824	6	120.9261	1.428	78	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Se-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Se)	Ge(C[6a]C[6a]2)3(SeC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Se){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(SeC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7847	2.085	6	120.7847	4.348	6	120.7847	4.348	6	120.9261	1.428	78	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CCC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9813	1.649	12	120.9813	2.720	12	120.7920	1.880	111	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCF)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CCF)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7778	1.154	28	120.7778	1.331	28	120.7920	1.880	111	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CCH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.8070	1.142	23	120.8070	1.305	23	120.7920	1.880	111	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CC[6a]C)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7887	1.583	30	120.7887	2.507	30	120.7920	1.880	111	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CN[5]C)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CN[5]C)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.6746	1.511	18	120.6746	2.284	18	120.7920	1.880	111	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>}	122.1675	0.943	4	122.1675	0.890	4	121.2955	1.516	24	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|F<1>}	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(H){1|C<3>,1|F<1>,1|H<1>}	120.2235	1.544	2	120.2235	2.383	2	121.2955	1.516	24	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.2418	0.968	14	121.3008	1.401	17	121.2955	1.516	24	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.5825	3.154	2	121.3008	1.401	17	121.2955	1.516	24	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|Pt<4>,1|C<3>,1|H<1>}	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.5630	0.000	1	121.3008	1.401	17	121.2955	1.516	24	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]Pt)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]3){1|Pt<4>,1|C<3>,1|H<1>}	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]Pt)(H){1|H<1>,2|C<3>}	119.8620	0.000	1	119.8620	0.000	1	121.2955	1.516	24	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2N)	Ge(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9387	0.726	12	120.9387	0.527	12	120.9374	0.620	18	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2N)	Ge(C[6a]C[6a]2)3(NC[6a]Sn)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2N){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(NC[6a]Sn)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9348	0.975	6	120.9348	0.951	6	120.9374	0.620	18	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:N-3:N-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeN3)	Ge(C[6a]C[6a]2)(NCC)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeN3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(NCC)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.1280	1.072	2	121.1280	1.149	2	121.3950	1.040	4	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:N-3:N-3:N-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeN3)	Ge(C[6a]C[6a]2)(NSiC)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeN3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(NSiC)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.6620	1.298	2	121.6620	1.685	2	121.3950	1.040	4	120.9010	1.676	157	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3)	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(GeC[6a]3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)4	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(OC){1|C<3>,2|H<1>}	120.4062	1.094	4	120.4062	1.196	4	120.4062	1.196	4	120.4062	1.196	4	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.6712	1.000	6	121.4133	0.573	16	121.1412	0.996	57	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.2585	0.572	10	121.4133	0.573	16	121.1412	0.996	57	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CCHH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9654	0.853	18	120.9654	0.728	18	121.1412	0.996	57	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.5850	1.623	6	121.2948	1.571	11	121.1412	0.996	57	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CC[6a]CH)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9466	0.599	5	121.2948	1.571	11	121.1412	0.996	57	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2C)	Ge(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2C){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(CH3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9014	1.222	12	120.9014	1.493	12	121.1412	0.996	57	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(GeC[6a]2Ge){1|C<3>,2|F<1>}	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	121.8150	4.551	6	121.8150	20.712	6	121.8150	20.712	6	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.8100	0.806	6	121.3761	1.233	24	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.2314	1.179	18	121.3761	1.233	24	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.0278	2.035	6	120.7955	2.176	23	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeC[6a]2Ge)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7135	1.292	17	120.7955	2.176	23	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeC[6a]3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7153	0.355	6	120.7153	0.126	6	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeC[6a]CC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9745	0.824	6	120.9745	0.679	6	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeC[6a]Ge2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9661	1.656	18	120.9661	2.742	18	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeClGe2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeClGe2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.6535	1.832	22	120.6535	3.356	22	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGe2I)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeGe2I)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.0654	2.232	18	121.0654	4.980	18	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGeCC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeGeCC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.0393	0.798	6	121.0393	0.636	6	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge)	Ge(C[6a]C[6a]2)3(GeGeSi2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Ge){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(GeGeSi2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.0756	1.405	12	121.0756	1.975	12	120.9744	2.347	135	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2P)	Ge(C[6a]C[6a]2)3(PMo2P)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2P){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(PMo2P)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7717	1.642	6	120.7717	2.697	6	120.7717	2.697	6	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3977	0.853	6	121.2772	1.307	12	120.9527	2.194	25	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(SiC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.1568	1.454	6	121.2772	1.307	12	120.9527	2.194	25	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Ge(C[6a]C[6a]2)3(SiGeSi2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(SiGeSi2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.6405	1.844	11	120.6405	3.401	11	120.9527	2.194	25	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:3:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si)	Ge(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]2Si){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(SiSi3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.7220	1.353	2	120.7220	1.832	2	120.9527	2.194	25	121.0303	2.392	229	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:1:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]GeH){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.8708	1.129	12	120.8708	1.274	12	120.8708	1.274	12	120.8708	1.274	12	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:1:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-3:C-4:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(GeCCF)	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(GeCCF){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(CClP)(CC3)(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	120.4835	2.546	2	120.4835	6.484	2	120.4835	6.484	2	120.4835	6.484	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:2:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]CO)	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]CO){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(CCCH)(OC)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.8353	1.242	4	120.8353	1.543	4	120.8353	1.543	4	120.8353	1.543	4	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F)	C[6a](C[6a]C[6a]F)2(GeC[6a]Ge2){1|C<3>,2|F<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]3)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]F)(F){1|C<3>,2|F<1>}	121.9275	1.528	2	121.9275	2.335	2	121.9275	2.335	2	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.1270	0.878	16	121.1270	0.772	16	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2H)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9485	0.709	4	120.9485	0.503	4	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pd)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.7188	1.619	24	121.7188	2.620	24	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]2Pt)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.4213	1.905	8	121.4213	3.629	8	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)(GeC[6a]3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.8785	2.015	12	120.8785	4.062	12	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Ge)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9755	1.065	12	120.9755	1.134	12	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9027	1.802	4	120.9027	3.246	4	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:3:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2)	Ge(C[6a]C[6a]2)2(GeC[6a]2Pt)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC[6a]Ge2){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Pt)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.8745	0.575	4	121.8745	0.330	4	121.2834	2.136	84	121.2983	2.122	86	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:4:1:1:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:Ge-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(GeGeHH)	Ge(C[6a]C[6a]2)(GeC[6a]PtH)(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3)	C[6a](C[6a]C[6a]C)2(GeGeHH){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(GeC[6a]PtH)(H)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	120.6435	1.722	2	120.6435	2.965	2	120.6435	2.965	2	120.6435	2.965	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeC3)	Ge(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeC3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(CH3)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|H<1>,2|C<3>}	121.4900	0.901	4	121.4900	0.813	4	121.4900	0.813	4	121.3335	0.796	8	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:Ge-4:C-4:C-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeGeCC)	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeGeCC){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(GeC[6a]3)(CH3)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	120.9345	1.101	2	120.9345	1.212	2	120.9345	1.212	2	121.3335	0.796	8	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C[6a]-3:Ge-4:	C[6a]-3:Ge-4:Ge-4:Ge-4:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[6a]C[6a]H)2(GeGe3)	Ge(C[6a]C[6a]2)(GeC[6a]3)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](C[6a]C[6a]H)2(GeGe3){1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)(GeC[6a]3)3	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.4195	1.221	2	121.4195	1.491	2	121.4195	1.491	2	121.3335	0.796	8	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	3:3:4:	4:3:1:1:	3:3:4:	C[6a]-3:C[6a]-3:Ge-4:	C[5]-4:C[6a]-3:Br-1:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[6a]C[6a]C)2(GeC[5]Br2)	Ge(C[5]C[5]2Fe)(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH)	C[6a](C[6a]C[6a]C)2(GeC[5]Br2){1|C<3>,2|H<1>}	Ge(C[5]C[5]2Fe)(C[6a]C[6a]2)(Br)2	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CCCH){1|C<3>,2|C<4>}	120.0240	1.366	2	120.0240	1.866	2	120.0240	1.866	2	120.0240	1.866	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	4:3:3:	3:3:3:3:	3:3:1:	Ge-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2	Ge(C[6a]C[6a]2)3(B[5]O[5]2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H)	C[6a](GeC[6a]2B[5])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)3(B[5]O[5]2)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(H){1|C<3>,2|H<1>}	121.0149	0.665	12	121.0149	0.442	12	121.0149	0.442	12	121.0149	0.442	12	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	4:3:3:	3:3:3:4:	3:3:4:	Ge-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3)	C[6a](GeC[6a]C[5]C)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	Ge(C[6a]C[6a]2)2(C[5]N[5]2)(CH3)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	120.5613	3.791	8	120.5613	14.374	8	120.5613	14.374	8	120.5613	14.374	8	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	4:3:3:	3:3:4:1:	3:3:1:	Ge-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge-4:Br-1:	C[6a]-3:C[6a]-3:H-1:	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]C)(H)	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]C)(H){1|C<3>,1|C<4>,1|H<1>}	116.9450	1.472	2	116.9450	2.167	2	116.9450	2.167	2	116.9450	2.167	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	4:3:3:	3:3:4:1:	3:3:4:	Ge-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Ge-4:Br-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H)	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3)	C[6a](GeC[6a]BrGe)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	Ge(C[6a]C[6a]2)2(GeC[6a]2Br)(Br)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CF3){1|C<3>,2|H<1>}	125.3660	1.560	2	125.3660	2.433	2	125.3660	2.433	2	125.3660	2.433	2	120.9621	2.825	807	120.9621	2.825	807
643	310	643	0:SP2_SP2_SP3	C[6a]	Ge	C[6a]	4:3:3:	4:3:3:1:	3:3:4:	Ge-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C-4:	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3)	C[6a](GeC[6a]C[5]F)(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	Ge(C[5]C[5,6a]2H)(C[6a]C[6a]2)2(F)	C[6a](C[6a]C[6a]Ge)(C[6a]C[6a]H)(CH3){1|C<3>,2|C<4>}	120.6040	2.939	4	120.6040	8.638	4	120.6040	8.638	4	120.6040	8.638	4	120.9621	2.825	807	120.9621	2.825	807
643	310	727	0:SP2_SP2_SP3	C[6a]	Ge	C[5,6a]	3:3:4:	3:3:2:2:	3:3:4:	C[5,6a]-3:C[5,6a]-3:Ge-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO)	Ge(C[6a]C[5,6a]2)2(OH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC)	C[6a](C[5,6a]C[5,6a]C[5])2(GeC[6a]OO){1|C<3>,8|C<4>}	Ge(C[6a]C[5,6a]2)2(OH)2	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Ge)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	121.4085	0.632	4	121.4085	0.399	4	121.4085	0.399	4	121.4085	0.399	4	121.4085	0.399	4	121.4085	0.399	4
643	362	371	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	N[6a]	6:2:3:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:N[6a]-2:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a,6a]-3:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a,6a]C[6a,6a]C[6a]){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	115.0510	0.000	1	115.0510	0.000	1	115.0510	0.000	1	115.0510	0.000	1	115.7540	0.668	8	115.7540	0.668	8
643	362	371	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	N[6a]	6:3:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a]){1|B<6>,4|C<3>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	117.3120	0.000	1	117.3120	0.000	1	115.8544	0.686	7	115.8544	0.686	7	115.7540	0.668	8	115.7540	0.668	8
643	362	371	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	N[6a]	6:3:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<2>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	115.6685	0.327	2	115.6685	0.107	2	115.8544	0.686	7	115.8544	0.686	7	115.7540	0.668	8	115.7540	0.668	8
643	362	371	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	N[6a]	6:3:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	115.7530	1.031	2	115.7530	1.063	2	115.8544	0.686	7	115.8544	0.686	7	115.7540	0.668	8	115.7540	0.668	8
643	362	371	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	N[6a]	6:3:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	115.8250	0.000	1	115.4130	0.339	2	115.8544	0.686	7	115.8544	0.686	7	115.7540	0.668	8	115.7540	0.668	8
643	362	371	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	N[6a]	6:3:2:	6:6:6:6:6:3:	3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	N[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	115.0010	0.000	1	115.4130	0.339	2	115.8544	0.686	7	115.8544	0.686	7	115.7540	0.668	8	115.7540	0.668	8
643	362	643	0:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	118.7594	0.766	5	118.7594	0.766	5	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,8|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,2|C<3>,3|F<1>,5|H<1>}	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	119.4990	0.000	1	119.1180	0.169	3	119.1180	0.169	3	118.7594	0.766	5	118.7594	0.766	5	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	118.6820	0.000	1	119.1180	0.169	3	119.1180	0.169	3	118.7594	0.766	5	118.7594	0.766	5	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,3|C<3>,7|H<1>}	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	119.1730	0.000	1	119.1180	0.169	3	119.1180	0.169	3	118.7594	0.766	5	118.7594	0.766	5	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:H-1:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6a](C[6,6a]C[5x3,5x5,21x6]C[6,6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	117.2830	0.000	1	117.2830	0.000	1	117.2830	0.000	1	118.7594	0.766	5	118.7594	0.766	5	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,3x5,11x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,3x5,11x6]-6:C[6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a]H)2	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]RhH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]RhH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a]H)2{1|Rh<10>,1|C<3>,1|C<6>,3|B<6>,7|H<1>}	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]RhH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]RhH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2){1|B<6>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|H<1>,5|B<6>}	120.9575	0.677	2	120.9970	0.158	4	120.9970	0.158	4	120.8623	0.212	6	120.8623	0.212	6	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,3x5,11x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,3x5,11x6]-6:C[6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a]H)2	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]RhH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]RhH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a]H)2{1|Rh<10>,1|C<3>,1|C<6>,3|B<6>,7|H<1>}	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]RhH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]RhH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2){1|B<6>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,5|B<6>}	121.0365	0.097	2	120.9970	0.158	4	120.9970	0.158	4	120.8623	0.212	6	120.8623	0.212	6	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,3x5,11x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,3x5,11x6]-6:C[6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:C[6a]-3:	C[6a]-3:C[6a,6a]-3:H-1:	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]FeH)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Fe<10>,2|B<6>,2|C<3>,2|C<6>,6|H<1>}	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]FeH)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a,6a]C[6a,6a]C[6a])(H){2|H<1>,3|C<3>,5|B<6>}	121.0210	0.000	1	121.0210	0.000	1	121.0210	0.000	1	120.8623	0.212	6	120.8623	0.212	6	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,3x5,11x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,3x5,11x6]-6:C[6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]FeH)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|Fe<10>,2|B<6>,2|C<3>,2|C<6>,6|H<1>}	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)2(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]FeH)2(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,3x5,11x6]C[6a])(C[6a]C[6a,6a]H)(H){1|H<1>,2|C<3>,5|B<6>}	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	120.8623	0.212	6	120.8623	0.212	6	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a,6a]-3:C[6a,6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a,6a]C[6a,6a]C[6a])2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a,6a]2)	C[6a,6a](C[6a]C[5x3,5x5,20x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a,6a]C[6a,6a]C[6a])2{5|B<6>,5|C<3>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a,6a]2){1|B<6>,4|C<3>,5|H<1>}	C[6a,6a](C[6a]C[5x3,5x5,20x6]C[6a,6a])(C[6a,6a]C[6a]2)(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	120.3775	1.596	2	120.3775	2.547	2	120.3775	2.547	2	120.3775	2.547	2	120.3775	2.547	2	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:2:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:N[6a]-2:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a,6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6a]C[6a,6a])(C[6a]C[6a]H){2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a,6a]H)(H){1|C<6>,2|C<3>,4|B<6>}	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:2:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	120.3450	0.000	1	120.3450	0.000	1	120.7126	0.329	7	120.7126	0.329	7	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:2:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|O<2>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	120.9005	0.904	2	120.9005	0.818	2	120.7126	0.329	7	120.7126	0.329	7	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:2:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,1|O<2>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]O)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	120.6380	0.839	2	120.6380	0.703	2	120.7126	0.329	7	120.7126	0.329	7	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:2:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|C<6>,4|B<6>}	120.4470	0.000	1	120.7830	0.226	2	120.7126	0.329	7	120.7126	0.329	7	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:2:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:N[6a]-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a])	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a])	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]N[6a]){1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]N[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,4|B<6>}	121.1190	0.000	1	120.7830	0.226	2	120.7126	0.329	7	120.7126	0.329	7	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	5:5:5:5:5:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:B[5x3,5x5,20x6]-5:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,2|H<1>,4|B<5>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4)3(C[6a]C[6a]2){1|B<5>,2|H<1>,3|C<3>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|I<1>,5|B<5>}	120.8085	0.693	4	120.8085	0.480	4	120.8085	0.480	4	120.8085	0.480	4	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:2:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:N[6a]-2:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,1|C<3>,1|N<2>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(N[6a]C[6a])(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	121.0120	0.000	1	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3: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]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,4|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2){1|B<6>,1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,5|B<6>}	120.8760	0.379	4	120.9200	0.163	10	121.0230	0.289	24	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3: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]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,4|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,5|B<6>}	120.7750	0.083	2	120.9200	0.163	10	121.0230	0.289	24	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3: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]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,1|C<6>,4|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(C[6a]C[6a]2){1|B<6>,3|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,5|B<6>}	121.0365	0.555	4	120.9200	0.163	10	121.0230	0.289	24	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3: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]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,1|H<1>,5|B<6>}	121.0288	0.690	4	121.0966	0.384	14	121.0230	0.289	24	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3: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]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,1|H<1>,5|B<6>}	121.4215	0.934	2	121.0966	0.384	14	121.0230	0.289	24	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3: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]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,5|B<6>}	120.9827	0.794	4	121.0966	0.384	14	121.0230	0.289	24	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3: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]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,5|B<6>}	121.1160	0.415	4	121.0966	0.384	14	121.0230	0.289	24	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[5,6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[5,6a]C[5,6a]C[5])(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[5,6a]C[5,6a]C[5])(H){1|C<6>,1|H<1>,4|B<6>,5|C<3>}	120.8770	0.000	1	120.8770	0.000	1	120.8770	0.000	1	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]F)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]F)(F)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]F)2{1|C<3>,2|F<1>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,2|F<1>,5|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,1|C<6>,1|F<1>,4|B<6>}	122.7870	1.925	2	122.7870	3.705	2	122.7870	3.705	2	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[5,6a]H)(C[6a]C[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[5,6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[5,6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	118.8490	0.000	1	118.8490	0.000	1	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]N[6a]H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,1|C<3>,1|N<2>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<6>,1|N<2>,2|H<1>,4|B<6>}	120.9810	0.000	1	120.9810	0.000	1	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]Br)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.1580	1.264	2	120.1580	1.598	2	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{3|C<3>,5|B<6>,5|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6a])2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,6|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.7710	2.673	2	120.7710	7.144	2	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,4|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.6435	1.255	2	120.6435	1.575	2	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,1|O<2>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4O)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	120.3170	0.376	2	120.3170	0.142	2	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2)	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5x3,5x5,20x6]C[6a])(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|C<5>,4|H<1>,5|B<6>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[5x3,5x5,20x6]C[6a])(H){1|C<3>,1|C<6>,2|H<1>,8|B<6>}	119.9723	0.756	4	119.9723	0.572	4	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,1|C<4>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2){1|Pd<4>,1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.8315	1.479	2	120.8478	0.843	4	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(C[6a]C[6a]2){1|Pd<4>,1|B<6>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.8640	0.585	2	120.8478	0.843	4	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]C)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.5880	0.000	1	120.5880	0.000	1	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<2>,1|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.1070	0.000	1	120.7150	1.518	23	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	121.2040	0.884	4	120.7150	1.518	23	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,2|S<2>,5|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	121.4810	1.691	2	120.7150	1.518	23	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,3|I<1>,4|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.1980	2.817	2	120.7150	1.518	23	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<2>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	120.6930	1.005	4	120.7150	1.518	23	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.4270	1.174	2	120.7150	1.518	23	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,5|B<6>,7|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	120.5671	1.335	8	120.7150	1.518	23	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]H)2{1|C<3>,1|N<2>,5|B<6>,6|H<1>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4N)(C[6a]C[6a]2){1|B<6>,2|C<3>,7|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)(H){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	120.6220	0.455	2	120.6220	0.207	2	120.5719	1.261	44	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	0:SP2_SP2_SPD6	C[6a]	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:1:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6a]-3:	C[6a]-3:C[6a]-3:F-1:	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]F)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2)	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]F)(F)	C[6a](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]F)2{2|C<3>,2|F<1>,4|H<1>,5|B<6>}	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6a]C[6a]2){1|B<6>,2|F<1>,4|C<3>,5|H<1>}	C[6a](C[6a]C[5x3,5x5,20x6]C[6a])(C[6a]C[6a]F)(F){1|C<3>,1|C<6>,1|F<1>,1|S<2>,4|B<6>}	123.3038	3.131	4	123.3038	9.803	4	123.3038	9.803	4	120.9251	1.747	75	120.8981	1.532	88	120.7798	1.619	101
643	362	643	6:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,21x6]-6:C[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6,6a])(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	120.1390	0.000	1	120.1390	0.000	1	120.1390	0.000	1	120.9832	0.631	4	120.8296	0.591	5	120.8296	0.591	5
643	362	643	6:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	120.4980	0.000	1	120.9855	0.475	2	120.9855	0.475	2	120.9832	0.631	4	120.8296	0.591	5	120.8296	0.591	5
643	362	643	6:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,3|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]C){1|C<3>,1|C<4>,1|C<6>,2|H<1>,4|B<6>}	121.4730	0.000	1	120.9855	0.475	2	120.9855	0.475	2	120.9832	0.631	4	120.8296	0.591	5	120.8296	0.591	5
643	362	643	6:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){3|C<3>,5|B<6>,6|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[6,6a])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(C[6,6a]C[6,6a]C[6a]){1|B<6>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	120.9832	0.631	4	120.8296	0.591	5	120.8296	0.591	5
643	362	643	6:SP2_SP2_SPD6	C[6,6a]	C[5x3,5x5,21x6]	C[6,6a]	6:3:3:	6:6:6:6:6:3:	3:3:4:	C[5x3,5x5,21x6]-6:C[6,6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,21x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[6,6a]-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a])	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	C[6,6a](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,5|B<6>,8|H<1>}	C[5x3,5x5,21x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,21x6]H)2(C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[6])(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[6,6a]C[6,6a]C[6a]){1|B<6>,1|C<4>,2|C<3>,3|F<1>,5|H<1>}	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.2150	0.000	1	120.8296	0.591	5	120.8296	0.591	5
643	366	643	0:SP2_SP2_SPD5	C[6a]	P[3,3]	C[6a]	5:3:3:	5:3:2:2:2:	3:3:3:	P[3,3]-5:C[6a]-3:C[6a]-3:	P[3,3]-5:C[6a]-3:N[3]-2:N[3]-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN)	C[6a](C[6a]P[3,3]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H)	C[6a](P[3,3]P[3,3]N[3]2N)(C[6a]C[6a]2)2{1|N<2>,2|H<1>,6|C<3>}	P[3,3](P[3,3]C[6a]N[3]2N)(C[6a]C[6a]2)(N[3]P[3,3])2(NN){6|C<3>}	C[6a](C[6a]P[3,3]C[6a])(C[6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,1|P<5>,2|C<4>,3|N<2>,4|C<3>}	119.5480	0.197	2	119.5480	0.039	2	119.5480	0.039	2	119.5480	0.039	2	119.5480	0.039	2	119.9592	0.431	4
643	366	643	0:SP2_SP2_SPD5	C[6a]	P[3,5]	C[6a]	5:3:3:	3:3:3:2:2:	3:3:1:	P[3,5]-5:C[6a]-3:C[6a]-3:	C[3]-3:C[3]-3:C[6a]-3:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](P[3,5]C[3]2O[5]2)(C[6a]C[6a]H)2	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2	C[6a](C[6a]P[3,5]C[6a])(C[6a]C[6a]H)(H)	C[6a](P[3,5]C[3]2O[5]2)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	P[3,5](C[3]C[6a]C[3])2(C[6a]C[6a]2)(O[5]C[5,6a])2{2|H<1>,8|C<3>}	C[6a](C[6a]P[3,5]C[6a])(C[6a]C[6a]H)(H){2|H<1>,2|O<2>,3|C<3>}	120.3705	0.760	2	120.3705	0.578	2	120.3705	0.578	2	120.3705	0.578	2	120.3705	0.578	2	119.9592	0.431	4
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:N[6a]-2:	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])	C[6a,6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a])(N[6a]N[6a]){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(N[6a]C[6a,6a]){1|N<2>,3|C<3>}	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	114.7970	0.000	1	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	119.4750	0.000	1	119.9000	0.361	2	120.0496	0.192	5	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	120.3250	0.000	1	119.9000	0.361	2	120.0496	0.192	5	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](C[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|C<4>,4|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	120.1493	0.409	3	120.1493	0.167	3	120.0496	0.192	5	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[5,6a]C[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]N[5,6a]C[5]){2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	115.5490	0.000	1	115.5490	0.000	1	115.6350	0.015	2	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]C[6a]){2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]C[5]){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	115.7210	0.000	1	115.7210	0.000	1	115.6350	0.015	2	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6,6a]){1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	117.1070	1.286	2	117.1070	1.653	2	117.1070	1.653	2	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){3|C<3>}	114.8620	0.000	1	114.8325	0.002	2	115.6787	2.149	3	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|N<3>,1|O<1>,1|S<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]C[6]){2|C<4>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	114.8030	0.000	1	114.8325	0.002	2	115.6787	2.149	3	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6,6a])(N[6a]C[6a]){1|C<2>,1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6,6a]N[6]){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	117.3710	0.000	1	117.3710	0.000	1	115.6787	2.149	3	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	115.1850	0.000	1	115.1850	0.000	1	115.1850	0.000	1	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[5,6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[5,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]2){2|N<2>,4|C<3>}	115.9050	0.546	4	115.9050	0.298	4	115.9050	0.298	4	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	114.1257	0.468	9	114.1257	0.219	9	115.5499	1.575	24	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	115.2300	0.000	2	115.2300	0.000	2	115.5499	1.575	24	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{5|C<3>}	116.1630	0.000	2	116.1630	0.000	2	115.5499	1.575	24	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	116.8658	0.263	5	116.8658	0.069	5	115.5499	1.575	24	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a,6a]C[6a,6a]2){2|N<2>,4|C<3>}	116.1150	0.472	2	116.1150	0.223	2	115.5499	1.575	24	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|C<2>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	116.5753	0.330	3	116.5753	0.109	3	115.5499	1.575	24	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[6a])2	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])(N[6a]C[6a]){1|N<2>,1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])2{2|C<3>,3|N<2>}	116.9950	0.000	1	116.9950	0.000	1	115.5499	1.575	24	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	112.6585	0.291	2	112.6585	0.084	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H)	C[6a,6a](C[6a,6a]C[6a,6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	113.0820	0.000	1	113.0820	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|H<1>,1|N<3>,4|C<3>}	115.3650	0.000	1	115.3650	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	115.3277	0.069	3	115.3277	0.005	3	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	114.4770	0.000	1	114.9934	0.358	5	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	114.7890	0.000	1	114.9934	0.358	5	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	115.0790	0.000	1	114.9934	0.358	5	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	115.3110	0.956	2	114.9934	0.358	5	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	115.0660	0.000	1	114.7420	0.271	27	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	114.4488	0.263	4	114.7420	0.271	27	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	115.2824	0.452	5	114.7420	0.271	27	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	114.2727	0.311	3	114.7420	0.271	27	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	114.7103	0.500	14	114.7420	0.271	27	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	114.1120	0.000	1	114.1120	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C[5]){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	114.7710	0.000	1	114.7710	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	114.9010	0.000	1	114.9010	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	115.3860	0.000	1	115.3860	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl){1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	115.0510	0.000	1	115.0510	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	115.1832	0.354	12	115.1832	0.126	12	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	114.5890	0.390	2	114.5890	0.152	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	115.9960	0.000	1	115.9960	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	115.8890	0.000	1	115.8890	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	115.0615	0.059	2	115.0240	0.010	5	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	114.9990	0.125	3	115.0240	0.010	5	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	114.6560	0.000	1	114.6560	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){3|C<3>}	116.5510	0.000	1	116.5510	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	114.9495	0.359	2	114.7847	0.239	6	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[5]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	114.7022	0.573	4	114.7847	0.239	6	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|F<1>,2|C<4>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){4|C<3>}	118.8230	0.000	1	118.8230	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|H<1>,5|C<3>}	114.8520	0.247	2	114.8520	0.061	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	115.3708	0.353	4	115.3708	0.124	4	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	117.2470	0.000	1	117.1310	0.011	3	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	117.1010	0.000	1	117.1310	0.011	3	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	117.0450	0.000	1	117.1310	0.011	3	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	116.7290	0.000	1	116.3445	0.296	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	115.9600	0.000	1	116.3445	0.296	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	116.1180	0.109	2	116.1180	0.012	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|C<4>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	115.6960	0.505	2	115.6960	0.255	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	116.2870	0.383	3	116.2870	0.146	3	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|O<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	116.6340	0.000	1	116.6340	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|N<2>,3|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	117.8480	0.111	3	117.8480	0.012	3	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>}	116.7780	0.000	1	116.7780	0.000	1	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a,6a](C[6a,6a]N[5a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[5a,6a]C[6a]){1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	115.6575	0.400	2	115.6575	0.160	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a])2{1|C<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|C<2>,1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	116.6210	0.267	2	116.6210	0.071	2	115.2808	1.053	101	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|Cl<1>,4|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	120.4786	0.333	9	120.4786	0.111	9	120.4687	0.079	14	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,4|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	120.4450	0.296	2	120.4450	0.087	2	120.4687	0.079	14	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|N<3>,4|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	120.2840	0.000	1	120.4255	0.040	2	120.4687	0.079	14	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{3|N<2>,3|N<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	120.5670	0.000	1	120.4255	0.040	2	120.4687	0.079	14	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{1|O<1>,2|N<3>,3|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	120.5140	0.000	1	120.5140	0.000	1	120.4687	0.079	14	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[6,6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	C[6a,6a](N[6,6a,6a]C[6,6a]2)(N[6a]C[6a])2{1|N<3>,2|O<1>,3|N<2>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){3|C<3>}	121.0067	0.220	3	121.0067	0.048	3	121.0067	0.048	3	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C){3|C<3>}	117.3810	0.000	2	117.3810	0.000	2	117.4567	0.221	4	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	116.9670	0.000	1	117.5325	0.640	2	117.4567	0.221	4	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	0:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[6a,6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	118.0980	0.000	1	117.5325	0.640	2	117.4567	0.221	4	116.1199	4.042	163	116.1118	4.027	164	116.1118	4.027	164
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a]-3:C[6a,6a]-3:	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])	C[6a,6a](C[6a,6a]N[6a]2)(N[6a]C[6a,6a])2{4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	116.7181	0.436	7	116.7181	0.190	7	116.7181	0.190	7	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	115.5343	0.114	3	115.4226	0.034	5	115.3289	0.049	8	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	115.2550	0.133	2	115.4226	0.034	5	115.3289	0.049	8	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	115.1165	0.262	2	115.1165	0.069	2	115.3289	0.049	8	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a,6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6])	C[6a,6a](C[6a,6a]C[6a]2)(N[6a]C[6a])2{2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6]){1|H<1>,5|C<3>}	115.2850	0.000	1	115.2850	0.000	1	115.3289	0.049	8	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|C<3>,2|C<4>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	121.2450	0.000	1	121.2450	0.000	1	121.1357	0.087	3	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{2|Cl<1>,4|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	121.3600	0.000	1	121.3600	0.000	1	121.1357	0.087	3	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a,6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[3x6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a,6a](N[3x6a]C[6a,6a]2)(N[6a]C[6a])2{6|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	120.8020	0.000	1	120.8020	0.000	1	121.1357	0.087	3	116.8369	4.434	18	116.8369	4.434	18	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:Br-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(Br)	N[6a](C[6a]N[6a]Br)(N[6a]C[6a])	N[6a](C[6a]N[6a]Br)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Br){1|C<3>}	N[6a](C[6a]N[6a]Br)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Br)(N[6a]C[6a]){1|H<1>,1|N<2>}	127.7890	0.000	1	127.7890	0.000	1	127.7890	0.000	1	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Cl){1|C<3>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|C<3>,1|N<2>}	127.2930	0.000	1	127.2190	0.066	4	127.2190	0.066	4	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Cl){1|C<3>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|H<1>,1|N<2>}	127.5080	0.000	1	127.2190	0.066	4	127.2190	0.066	4	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(Cl){1|C<3>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(N[6a]C[6a]){1|N<2>,1|N<3>}	127.0375	0.206	2	127.2190	0.066	4	127.2190	0.066	4	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Br<1>,1|N<2>}	126.5250	0.000	1	126.2018	0.158	12	126.2018	0.158	12	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|C<3>,1|N<2>}	125.9763	0.246	3	126.2018	0.158	12	126.2018	0.158	12	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	126.4380	0.000	1	126.2018	0.158	12	126.2018	0.158	12	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|N<3>}	126.1076	0.496	5	126.2018	0.158	12	126.2018	0.158	12	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:2:	3:2:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(H)	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	N[6a](C[6a]N[6a]H)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(H){1|C<3>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]H)(N[6a]C[6a]){1|N<2>,1|O<2>}	126.4960	0.320	2	126.2018	0.158	12	126.2018	0.158	12	126.5345	0.419	17	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	2:3:	N[6a]-2:N[6a]-2:H-1:	N[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H)	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]H){1|N<3>,3|N<2>}	N[6a](N[6a]C[5,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	128.5710	0.000	1	128.5710	0.000	1	128.5710	0.000	1	125.0880	8.142	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	2:3:	N[6a]-2:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	120.0060	0.000	1	123.7105	27.447	2	123.7105	27.447	2	125.0880	8.142	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	2:3:	N[6a]-2:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){4|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]H){1|N<2>,1|N<3>}	127.4150	0.000	1	123.7105	27.447	2	123.7105	27.447	2	125.0880	8.142	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	2:3:	N[6a]-2:N[6a]-2:I-1:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(I){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]I){2|C<3>}	128.1190	0.000	1	128.1190	0.000	1	128.1190	0.000	1	125.0880	8.142	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	2:3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	124.0100	0.000	1	124.1482	0.300	4	124.1482	0.300	4	125.0880	8.142	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	2:3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|N<3>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	123.4510	0.000	1	124.1482	0.300	4	124.1482	0.300	4	125.0880	8.142	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	2:3:	N[6a]-2:N[6a]-2:O-1:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(O){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){2|N<2>,2|N<3>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	124.5660	0.216	2	124.1482	0.300	4	124.1482	0.300	4	125.0880	8.142	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Br-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Br)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br)	C[6a](N[6a]C[6a])2(Br){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]Br){1|H<1>,1|N<3>,2|C<3>}	130.6767	0.352	4	130.6767	0.124	4	130.6767	0.124	4	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]Cl){1|N<3>,3|C<3>}	131.6605	0.709	2	131.6605	0.503	2	131.6327	0.180	4	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]Cl){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	131.6050	0.185	2	131.6050	0.034	2	131.6327	0.180	4	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]Cl){1|N<2>,1|O<2>,2|C<3>}	130.9713	0.113	3	130.9713	0.013	3	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	131.4740	0.000	1	131.4740	0.000	1	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	130.3830	0.290	4	130.1001	0.247	15	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	130.0854	0.516	8	130.1001	0.247	15	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	129.4395	0.223	2	130.1001	0.247	15	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	130.4080	0.000	1	130.1001	0.247	15	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	131.3630	0.000	1	131.6859	0.205	14	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	131.7107	0.461	13	131.6859	0.205	14	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	130.2770	0.000	1	129.9910	0.164	2	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|N<2>,3|C<3>}	129.7050	0.000	1	129.9910	0.164	2	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<3>,1|P<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]Cl){1|C<3>,1|N<2>}	129.5790	0.000	1	129.5790	0.000	1	130.8070	0.800	36	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6,6a]C)(C[6a]N[6a]Cl){1|C<3>,1|C<4>}	129.4590	0.000	1	129.4590	0.000	1	129.5683	0.067	3	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]Cl)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(Cl){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]Cl){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|C<4>}	129.6230	0.341	2	129.6230	0.116	2	129.5683	0.067	3	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(Cl)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a,6a])2(Cl){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	130.2303	0.793	12	130.2303	0.628	12	130.2303	0.628	12	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){4|C<3>}	129.3670	0.000	1	129.3670	0.000	1	130.7051	1.053	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	130.1450	0.000	1	130.1450	0.000	1	130.7051	1.053	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	131.5187	0.291	3	131.5187	0.085	3	130.7051	1.053	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|S<4>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]Cl){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]Cl){2|C<3>}	129.4560	0.000	1	129.4560	0.000	1	130.7051	1.053	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(Cl){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]Cl){2|C<3>}	131.4120	0.000	1	131.4120	0.000	1	130.7051	1.053	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]Cl){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	130.8990	0.000	1	130.8990	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	N[6a](C[6a]C[6a]Pd)(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Pd)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	127.3145	0.400	2	127.3145	0.160	2	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	129.7355	0.567	4	129.7355	0.322	4	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	129.5130	0.000	1	129.5130	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	130.3810	0.209	2	130.5088	0.165	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	130.2740	0.000	1	130.5088	0.165	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	130.3020	0.000	1	130.5088	0.165	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]Cl){2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	131.2060	0.000	1	130.5088	0.165	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]Cl){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	130.1580	0.000	1	130.1580	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	128.5290	0.137	2	128.5290	0.019	2	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	128.9550	1.724	2	128.9550	2.972	2	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	129.2440	0.000	1	129.2440	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	128.8020	0.103	2	128.8020	0.011	2	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl){1|S<2>,2|C<3>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	127.8117	0.754	6	127.8117	0.568	6	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](N[6a]C[6a])2(Cl){3|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]2){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	130.0710	0.000	1	130.0710	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|F<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|F<1>}	130.5060	0.000	1	130.1448	0.349	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	130.9210	0.000	1	130.1448	0.349	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	129.7657	0.340	3	130.1448	0.349	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<3>}	128.6270	0.000	1	129.2498	0.546	4	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|I<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|I<1>}	129.4920	0.000	1	129.2498	0.546	4	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|N<3>}	130.1880	0.000	1	129.2498	0.546	4	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	128.6920	0.000	1	129.2498	0.546	4	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|Br<1>,1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|Br<1>,1|C<3>}	130.6500	0.000	1	130.5166	0.979	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|H<1>}	131.0480	0.181	3	130.5166	0.979	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){2|C<3>}	128.7890	0.000	1	130.5166	0.979	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]O){1|C<3>,1|H<1>}	129.8101	0.501	7	129.8101	0.251	7	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|C<3>,2|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N){1|C<3>,1|N<3>}	131.0755	0.214	2	131.0755	0.046	2	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(Cl){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	128.3970	0.000	1	128.3970	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|C<2>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	128.9475	0.585	2	128.9475	0.342	2	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	130.5072	0.582	43	130.5128	0.333	44	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	130.7540	0.000	1	130.5128	0.333	44	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	129.1447	0.757	20	129.1447	0.573	20	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	129.8750	0.000	1	129.8750	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	129.0841	0.391	23	129.0841	0.153	23	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	128.8897	0.421	26	128.8897	0.177	26	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	128.5980	0.000	1	128.5980	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]Cl)2	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	114.8100	1.713	3	114.8100	2.933	3	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	129.8280	0.160	2	129.8280	0.026	2	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	130.5895	0.355	4	130.5895	0.126	4	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	128.5480	0.000	1	128.5480	0.000	1	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]Cl)2	C[6a](N[6a]C[6a])2(Cl){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]Cl)2{1|C<3>}	129.6760	0.407	5	129.6760	0.165	5	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(Cl){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	131.1613	0.042	3	131.1613	0.002	3	129.3781	4.466	187	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:D-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(D)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]D)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(D){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]D){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]D){1|C<3>,1|N<2>}	129.2960	0.000	1	129.2960	0.000	1	129.2960	0.000	1	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:F-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(F)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]F)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(F){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]F){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]F){2|C<3>}	133.6950	0.000	1	133.6950	0.000	1	133.6950	0.000	1	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F)	N[6a](C[6a]N[6a]F)2	C[6a](N[6a]C[6a])2(F){1|C<3>,1|F<1>,1|N<2>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]F)2{1|C<3>}	129.9230	0.163	2	129.9230	0.026	2	130.0511	0.024	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F)	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F)	C[6a](N[6a]C[6a])2(F){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F){1|Ni<4>,1|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F){1|Ni<4>,1|C<3>}	130.0165	0.077	2	130.0727	0.012	3	130.0511	0.024	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F)	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F)	C[6a](N[6a]C[6a])2(F){1|C<3>,2|F<1>}	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F){1|Pd<4>,1|C<3>}	N[6a](C[6a]C[6a]F)(C[6a]N[6a]F){1|Pd<4>,1|C<3>}	130.1850	0.000	1	130.0727	0.012	3	130.0511	0.024	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:F-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(F)	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]F)2	C[6a](N[6a]C[6a])2(F){1|F<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]F)2{1|C<3>}	130.1470	0.202	2	130.1470	0.041	2	130.0511	0.024	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	128.0095	0.467	2	128.0095	0.218	2	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|O<2>,2|C<3>}	128.8830	0.000	1	128.8830	0.000	1	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	127.8023	0.238	4	127.8023	0.057	4	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	127.4620	0.191	2	127.4620	0.036	2	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	129.3427	0.791	8	128.9854	0.546	16	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Co<6>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.3377	0.338	4	128.9854	0.546	16	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.8950	0.609	3	128.9854	0.546	16	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|Zn<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.9880	0.000	1	128.9854	0.546	16	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N[5])(C[6a]N[6a]H){1|N<3>,3|C<3>}	128.1280	0.000	1	128.1280	0.000	1	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.2135	2.760	2	128.5897	4.233	3	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<3>}	129.3420	0.000	1	128.5897	4.233	3	128.5758	0.913	29	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H)	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6,6a]C[5a,6,6a]N[5,6])(C[6a]N[6a]H){1|N<3>,3|C<3>}	129.0980	0.000	1	129.0980	0.000	1	129.0980	0.000	1	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<3>,3|C<3>}	128.3610	0.000	1	128.3610	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.0100	0.334	2	128.0100	0.111	2	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.7370	0.000	1	129.1754	0.156	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<3>,1|C<4>,1|N<2>,1|S<2>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.3830	0.000	1	129.1754	0.156	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	129.6870	0.000	1	129.1754	0.156	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|S<2>}	129.0350	0.294	2	129.1754	0.156	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|Br<1>,1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.6630	0.000	1	129.6630	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.5225	0.250	2	128.5225	0.062	2	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	127.9470	0.000	1	127.9470	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.6705	0.163	2	129.6705	0.027	2	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.5480	0.000	1	128.5480	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.7295	0.274	2	128.8094	0.051	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.9480	0.000	1	128.8094	0.051	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	128.6010	0.000	1	128.8094	0.051	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.0390	0.000	1	128.8094	0.051	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|O<2>,2|C<3>}	128.9990	0.000	1	128.8042	0.241	4	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|N<2>,1|S<2>,2|C<3>}	128.4570	0.441	2	128.8042	0.241	4	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|O<2>,3|C<3>}	129.3040	0.000	1	128.8042	0.241	4	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	128.5995	0.304	17	128.5429	0.097	28	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	128.8175	0.392	2	128.5429	0.097	28	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	128.3661	0.275	8	128.5429	0.097	28	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	128.4440	0.000	1	128.5429	0.097	28	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.0547	0.152	3	128.2055	0.281	29	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.3079	0.510	20	128.2055	0.281	29	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.3740	0.000	1	128.2055	0.281	29	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Co<6>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	126.9500	0.000	1	128.2055	0.281	29	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){2|C<3>}	127.8105	0.803	2	128.2055	0.281	29	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,1|S<4>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.3465	0.039	2	128.2055	0.281	29	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.3500	0.000	1	128.1853	0.043	3	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	127.9520	0.000	1	128.1853	0.043	3	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]H){2|C<3>}	128.2540	0.000	1	128.1853	0.043	3	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|I<1>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]I)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.2950	0.000	1	128.2950	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.6410	0.000	1	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.4411	0.941	10	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	130.0410	0.000	1	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.3895	0.933	93	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	129.6426	0.505	10	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	128.8058	0.618	10	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|Co<6>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.4990	0.069	2	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.1581	0.698	20	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	128.1013	0.434	3	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.9335	0.617	4	129.2273	0.804	154	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	129.1950	1.083	2	128.6182	0.590	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){2|C<3>,2|N<2>}	128.4330	0.000	1	128.6182	0.590	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	128.1340	0.134	2	128.6182	0.590	5	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.1870	0.000	1	129.0127	0.719	6	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	129.9995	0.448	2	129.0127	0.719	6	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	129.0760	0.000	1	129.0127	0.719	6	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	128.5190	0.000	1	129.0127	0.719	6	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.2950	0.000	1	129.0127	0.719	6	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|P<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]P)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.0075	0.073	2	129.0075	0.005	2	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.5000	0.000	1	129.1241	0.212	10	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	129.3110	0.000	1	129.1241	0.212	10	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.9460	0.579	3	129.1241	0.212	10	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){2|C<3>}	128.7620	0.000	1	129.1241	0.212	10	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.2075	0.519	4	129.1241	0.212	10	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]H){3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	128.1740	0.000	1	128.1740	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]H){2|C<3>}	127.6420	0.000	1	127.6420	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|O<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]H){2|C<3>}	127.6880	0.000	1	127.6880	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]H){3|C<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]H){2|C<3>}	127.9880	0.000	1	127.9880	0.000	1	128.9511	0.714	266	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]H){1|C<4>,3|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	126.8040	0.066	2	126.8040	0.004	2	127.8833	0.990	6	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	127.7790	0.000	1	127.7790	0.000	1	127.8833	0.990	6	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]H){1|C<3>,3|C<4>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	129.3130	0.000	1	129.3130	0.000	1	127.8833	0.990	6	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H)	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H)	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]H){1|C<4>,2|C<3>}	N[6a](C[6a]C[6,6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	128.3000	0.460	2	128.3000	0.211	2	127.8833	0.990	6	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H)	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H)	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6,6a,6a]N[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]N[6a]H){1|H<1>,3|C<3>}	127.5610	0.000	1	127.5610	0.000	1	127.5610	0.000	1	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	129.1999	0.154	24	129.1999	0.024	24	129.1876	0.049	28	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])2(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]H){4|C<3>}	129.5070	0.163	2	129.5070	0.026	2	129.1876	0.049	28	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])2(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]N[6a]H){4|C<3>}	128.7205	0.309	2	128.7205	0.095	2	129.1876	0.049	28	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6a]N[6a]H){4|C<3>}	N[6a](C[6a]C[6a,6a]C[5a])(C[6a]N[6a]H){4|C<3>}	129.2430	0.000	1	129.2430	0.000	1	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	127.6940	0.000	1	127.6095	0.014	2	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]H){4|C<3>}	127.5250	0.000	1	127.6095	0.014	2	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	128.0600	0.000	1	128.0600	0.000	1	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	128.9445	0.149	2	128.5885	0.496	32	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.5150	0.181	2	128.5885	0.496	32	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){2|C<3>}	128.5683	0.747	28	128.5885	0.496	32	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N[5a])(C[6a]N[6a]H){4|C<3>}	128.1180	0.000	1	128.1180	0.000	1	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	129.0660	0.526	2	129.0660	0.277	2	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H){2|C<3>}	128.9893	0.346	3	128.9893	0.120	3	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H){2|C<3>}	129.1910	0.000	1	129.1910	0.000	1	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	130.0840	0.339	2	130.0840	0.115	2	128.6651	0.554	45	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|C<4>,1|N<2>,2|C<3>}	128.6410	0.000	1	128.7900	0.044	2	128.5550	1.169	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[5a,6a]C[3])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	128.9390	0.000	1	128.7900	0.044	2	128.5550	1.169	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[5a,6a]C[6])(C[6a]N[6a]H){1|C<2>,2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	126.7340	0.000	1	126.7340	0.000	1	128.5550	1.169	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H){4|C<3>}	129.7485	0.368	2	129.7485	0.136	2	128.5550	1.169	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[5a,6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]H){3|C<3>}	128.0370	0.156	2	128.0370	0.024	2	128.5550	1.169	7	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	129.4060	0.000	1	129.4060	0.000	1	128.6510	1.140	2	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H)	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a,6a]N[6])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]H){1|N<3>,2|C<3>}	127.8960	0.000	1	127.8960	0.000	1	128.6510	1.140	2	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|N<3>,2|C<3>}	128.7630	0.000	1	128.4977	0.131	3	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|H<1>,1|S<2>,2|C<3>}	128.3650	0.395	2	128.4977	0.131	3	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.5755	0.040	2	128.5755	0.002	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	128.2580	0.000	1	127.6608	0.203	4	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	127.4617	0.260	3	127.6608	0.203	4	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	127.3050	0.000	1	127.1460	0.408	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|Br<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	126.5630	0.351	2	127.1460	0.408	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.0340	0.000	1	127.1460	0.408	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){4|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	127.2650	0.000	1	127.1460	0.408	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.1326	0.497	18	128.1326	0.247	18	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	127.4815	1.470	2	127.4815	2.161	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|F<1>}	126.8410	0.000	1	127.6424	0.468	17	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.2855	0.297	4	127.6424	0.468	17	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	127.4947	0.651	12	127.6424	0.468	17	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	129.0130	0.000	1	129.0130	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	126.7460	0.000	1	126.7210	0.092	3	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	127.0110	0.000	1	126.7210	0.092	3	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	126.4060	0.000	1	126.7210	0.092	3	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.5850	0.000	1	127.7573	0.560	9	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	127.6390	0.437	2	127.7573	0.560	9	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	127.4763	0.502	3	127.7573	0.560	9	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.0400	1.605	2	127.7573	0.560	9	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|O<2>}	127.4440	0.000	1	127.7573	0.560	9	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	127.9894	0.305	5	127.9894	0.093	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|B<3>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|B<3>,1|C<3>}	125.9970	0.000	1	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	126.9850	0.000	1	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<2>,1|C<3>}	126.7427	0.354	6	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|C<4>}	126.3232	0.649	11	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	127.2999	1.300	26	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<3>}	127.0820	1.227	3	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Pd<4>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Pd<4>,1|C<3>}	127.9200	0.000	1	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	127.0406	1.222	42	127.0073	1.344	91	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	127.2210	0.000	1	128.1050	0.665	4	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	129.1480	0.000	1	128.1050	0.665	4	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	128.0255	0.337	2	128.1050	0.665	4	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.2720	0.000	1	128.2720	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	129.7360	0.092	2	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){2|C<3>}	129.3560	0.000	1	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Br<1>,1|C<3>}	127.4825	0.876	2	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	128.6360	0.301	4	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|F<1>}	128.8580	0.000	1	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.8051	0.660	10	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<2>}	128.1790	0.000	1	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	128.9525	1.863	2	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|Cl<1>,1|C<3>}	128.1550	0.779	2	128.7056	0.655	25	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|C<4>}	127.1320	0.000	1	127.1320	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>}	127.3750	0.000	1	127.3925	0.001	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	127.4100	0.000	1	127.3925	0.001	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	128.6030	0.000	1	128.6030	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]H){1|H<1>,3|C<3>}	127.3118	0.089	4	127.3118	0.008	4	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	128.4635	0.605	4	128.4635	0.366	4	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<3>,1|H<1>,2|C<4>}	129.1610	0.000	1	129.1610	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.0355	0.156	2	128.0355	0.024	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H){1|C<3>,1|C<4>}	127.3020	0.000	1	127.3020	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<2>,1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<2>,1|C<3>}	129.8590	0.000	1	128.9550	1.634	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]H){1|C<3>,1|C<4>}	128.0510	0.000	1	128.9550	1.634	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]H){1|C<4>,1|H<1>,2|C<3>}	128.8940	0.000	1	128.8940	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	128.1010	0.000	1	127.6820	3.936	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|C<3>,2|S<4>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]H){1|C<3>,1|H<1>}	127.5772	2.275	4	127.6820	3.936	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)	C[6a](N[6a]C[6a])2(H){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H){1|N<2>,2|C<3>}	127.0410	1.134	2	127.0410	1.286	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H){1|C<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	127.0070	0.000	1	127.0070	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	127.1890	1.189	2	127.1890	1.415	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(H){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S){1|C<3>}	127.7990	0.000	1	127.7990	0.000	1	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]H)2	C[6a](N[6a]C[6a])2(H){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]H)2{1|C<3>}	126.8245	0.237	2	126.8245	0.056	2	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(H)	N[6a](C[6a]N[6a]H)2	N[6a](C[6a]N[6a]H)2	C[6a](N[6a]C[6a])2(H){1|N<2>,2|H<1>}	N[6a](C[6a]N[6a]H)2{1|C<3>}	N[6a](C[6a]N[6a]H)2{1|C<3>}	125.4010	0.950	5	125.4010	0.902	5	127.5353	1.343	227	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:H-1:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(H){1|N<3>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H){1|C<3>,1|N<3>}	130.0630	0.000	1	130.0630	0.000	1	130.0630	0.000	1	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:I-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]I){1|C<3>,1|N<2>}	128.2570	0.000	1	128.2570	0.000	1	129.4635	2.911	2	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:I-1:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(I){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]I){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]I){1|C<3>,1|N<3>}	130.6700	0.000	1	130.6700	0.000	1	129.4635	2.911	2	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:I-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(I)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I)	C[6a](N[6a]C[6a])2(I){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]I){1|Br<1>,1|C<3>}	126.7740	0.000	1	126.7740	0.000	1	126.7740	0.000	1	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-1:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O)	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(O){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[6,6a,6a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6,6a]N[6,6a,6a]N[6])(C[6a]N[6a]O){3|C<3>}	122.4520	0.288	3	122.4520	0.083	3	122.4520	0.083	3	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(O)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(O){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O){1|Eu<11>,1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]O){1|Eu<11>,1|N<3>,2|C<3>}	119.2950	0.000	1	119.2950	0.000	1	120.0125	1.030	2	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(O)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(O){3|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|N<3>,1|V<5>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]O){1|N<3>,1|V<5>,2|C<3>}	120.7300	0.000	1	120.7300	0.000	1	120.0125	1.030	2	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(S){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	112.9030	0.000	1	112.9030	0.000	1	114.9947	9.654	3	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:1:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-1:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(S)	N[6a](C[6a]N[6a]S)2	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(S){1|N<2>,1|S<1>,1|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	116.0405	3.570	2	116.0405	12.746	2	114.9947	9.654	3	128.7002	3.415	886	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(CN)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CN){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<2>,1|N<2>}	128.0790	0.000	1	128.0790	0.000	1	128.0790	0.000	1	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NC)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	122.7303	0.358	3	122.7303	0.128	3	122.8697	0.163	4	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	123.2880	0.000	1	123.2880	0.000	1	122.8697	0.163	4	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(OC)	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	125.7840	0.000	1	125.7840	0.000	1	126.8145	0.288	31	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|H<1>,1|N<2>}	127.0010	0.273	2	126.8489	0.260	30	126.8145	0.288	31	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|O<2>}	126.7957	0.518	26	126.8489	0.260	30	126.8145	0.288	31	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	N[6a](C[6a]N[6a]O)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]){1|N<2>,1|S<2>}	127.3880	0.214	2	126.8489	0.260	30	126.8145	0.288	31	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:2:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(SC[6a]){1|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|N<2>,1|O<2>}	125.7000	0.300	2	125.7000	0.090	2	125.7000	0.090	2	126.3739	1.842	38	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-2:	N[5,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN)	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|N<3>,3|N<2>}	N[6a](N[6a]C[5,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	128.2530	0.000	1	128.2530	0.000	1	128.2530	0.000	1	127.5168	1.981	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a])	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	129.1360	0.000	1	129.1360	0.000	1	127.3998	2.648	6	127.5168	1.981	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	126.1200	0.000	1	127.0526	2.405	5	127.3998	2.648	6	127.5168	1.981	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	128.6230	0.000	1	127.0526	2.405	5	127.3998	2.648	6	127.5168	1.981	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-2:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	126.8400	1.754	3	127.0526	2.405	5	127.3998	2.648	6	127.5168	1.981	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	2:3:	N[6a]-2:N[6a]-2:O-2:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(OH){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]O){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]O){1|N<2>,1|N<3>}	127.4820	0.000	1	127.4820	0.000	1	127.4820	0.000	1	127.5168	1.981	8	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	125.4780	0.000	1	125.4780	0.000	1	127.2317	2.307	3	127.1905	0.637	10	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NN){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<2>,1|C<3>}	128.1085	0.021	2	128.1085	0.000	2	127.2317	2.307	3	127.1905	0.637	10	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	127.3460	0.503	2	127.3460	0.253	2	127.1729	0.185	7	127.1905	0.637	10	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	126.8360	0.430	2	126.8360	0.185	2	127.1729	0.185	7	127.1905	0.637	10	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SC){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){1|C<3>,1|H<1>}	126.8000	0.000	1	126.8000	0.000	1	127.1729	0.185	7	127.1905	0.637	10	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:2:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(SS){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|N<2>,3|C<3>}	N[6a](C[6a]N[6a]S)(N[6a]C[6a]){2|C<3>}	127.5230	0.042	2	127.5230	0.002	2	127.1729	0.185	7	127.1905	0.637	10	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	125.7993	0.653	6	125.7993	0.426	6	126.9256	3.178	63	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]N[6a]C)2	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CC){1|N<2>,2|C<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	125.8422	0.216	5	125.8422	0.047	5	126.9256	3.178	63	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CC){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	123.5920	0.000	1	123.5920	0.000	1	126.9256	3.178	63	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CN)	N[6a](C[6a]N[6a]C)2	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CN){1|N<2>,2|C<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	127.2297	1.819	51	127.2297	3.309	51	126.9256	3.178	63	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:Cl-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(ClC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C)	C[6a](N[6a]C[6a])2(ClC[6a]){1|C<1>,1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Cl)(C[6a]C[6a]C){1|C<3>,1|H<1>}	128.7970	0.000	1	128.7970	0.000	1	128.7970	0.000	1	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	123.4590	0.000	1	123.4590	0.000	1	125.1153	6.869	3	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	123.7500	0.000	1	123.7500	0.000	1	125.1153	6.869	3	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NN){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,1|O<2>,1|S<4>,2|C<4>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|S<4>}	128.1370	0.000	1	128.1370	0.000	1	125.1153	6.869	3	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	128.3420	0.000	1	128.3420	0.000	1	127.2540	2.367	2	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NN){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.1660	0.000	1	126.1660	0.000	1	127.2540	2.367	2	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])2(NP)	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N)	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])2(NP){1|N<3>,2|N<2>}	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6,6a]N[6,6,6a]N[6])(C[6a]N[6a]N){3|C<3>}	126.2220	0.000	1	126.2220	0.000	1	126.2220	0.000	1	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NN)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])2(NN){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	128.8440	0.000	1	128.8440	0.000	1	128.8440	0.000	1	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	127.0710	0.219	2	127.0710	0.048	2	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.1850	0.000	1	125.1850	0.000	1	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.5917	0.743	3	124.5917	0.551	3	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.9455	0.378	2	125.9455	0.143	2	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.7830	0.000	1	125.7830	0.000	1	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NH){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.1630	0.000	1	125.1630	0.000	1	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	120.6887	0.338	3	120.6887	0.115	3	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	120.7040	0.000	1	120.7040	0.000	1	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.7130	0.000	1	126.7130	0.000	1	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NN)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NN){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	127.7250	0.822	2	127.7250	0.675	2	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NP){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	119.8880	0.560	2	123.9107	6.677	14	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NP)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NP){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.5812	2.105	12	123.9107	6.677	14	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6925	1.558	4	126.6925	2.428	4	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.5763	1.025	14	126.5763	1.051	14	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	124.6048	0.848	11	124.6048	0.719	11	125.0852	4.827	60	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(OC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	129.4920	0.000	1	129.4920	0.000	1	129.4920	0.000	1	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(OC){1|H<1>,2|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]O){4|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]O){2|C<3>}	127.8260	0.000	1	127.8260	0.000	1	127.8260	0.000	1	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	128.9470	0.000	1	128.9470	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|B<3>,1|C<3>}	127.5160	0.000	1	127.5160	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	128.9490	0.000	1	128.9490	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|Ir<6>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]O){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){2|C<3>}	128.7790	0.389	3	128.7790	0.151	3	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	128.9970	0.384	3	128.9498	0.218	6	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<2>}	129.6230	0.000	1	128.9498	0.218	6	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|N<3>}	128.5425	0.049	2	128.9498	0.218	6	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	129.4520	0.305	2	129.4520	0.093	2	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	126.7930	0.000	1	126.7930	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	127.1115	0.050	2	127.1115	0.003	2	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){3|C<3>}	127.8211	0.276	8	127.8211	0.076	8	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	125.8164	2.404	5	125.8164	5.778	5	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	126.3920	0.000	1	126.3920	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	127.3462	0.253	6	127.3462	0.064	6	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	126.6821	0.529	8	126.6821	0.280	8	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	128.3655	0.389	6	128.3655	0.152	6	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	127.7846	0.397	7	127.7846	0.157	7	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	126.1240	0.000	1	126.1240	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	128.1808	0.082	4	128.1203	0.043	6	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	127.9995	0.388	2	128.1203	0.043	6	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	127.0695	0.472	40	127.2464	0.458	45	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|C<4>}	128.5927	0.191	4	127.2464	0.458	45	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC)	N[6a](C[6a]N[6a]O)2	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC){1|N<3>,1|O<1>,1|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]O)2{1|C<3>,1|H<1>}	128.9380	0.000	1	127.2464	0.458	45	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[4])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[4]){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	127.1090	0.000	1	127.1090	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6])	N[6a](C[6a]N[6a]O)2	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6]){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	127.6784	0.664	9	127.6784	0.441	9	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a]){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	128.4380	0.081	2	128.4380	0.006	2	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	128.8295	0.269	10	128.8295	0.072	10	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O){1|C<3>,1|H<1>}	129.5240	0.000	1	129.5240	0.000	1	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	127.7896	0.418	26	127.7896	0.175	26	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Br<1>,1|C<3>}	129.0350	1.055	2	129.4385	0.316	16	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|C<3>,1|H<1>}	129.5569	0.518	12	129.4385	0.316	16	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O){1|Cl<1>,1|C<3>}	129.1315	0.039	2	129.4385	0.316	16	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	128.4423	0.724	14	128.4423	0.524	14	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	127.3579	0.456	41	127.3579	0.208	41	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	128.5031	0.563	22	128.5031	0.317	22	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(OC[6a])	N[6a](C[6a]N[6a]O)2	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	128.0863	0.587	83	128.0863	0.344	83	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(ON[5a])	N[6a](C[6a]N[6a]O)2	N[6a](C[6a]N[6a]O)2	C[6a](N[6a]C[6a])2(ON[5a]){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	N[6a](C[6a]N[6a]O)2{1|C<3>}	130.4120	0.345	3	130.4120	0.119	3	127.9301	0.861	338	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C)	C[6a](N[6a]C[6a])(N[6a]N[6a])(OH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]O){1|N<3>,1|O<1>,2|C<3>}	N[6a](C[6a]N[6a]O)(N[6a]C[6a]C){1|C<3>,1|O<1>}	126.5340	0.000	1	126.5340	0.000	1	126.5340	0.000	1	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S)	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(SC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]S){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]S){1|C<3>,1|C<4>}	127.6745	0.018	2	127.6745	0.000	2	127.6745	0.000	2	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	128.3390	0.000	1	128.3390	0.000	1	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]S){2|C<3>}	130.1470	0.000	1	130.1470	0.000	1	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S){2|C<3>,2|C<4>}	130.4060	0.239	2	130.4595	0.177	6	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]S){2|C<3>,2|C<4>}	130.4862	0.523	4	130.4595	0.177	6	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	128.3877	0.512	3	128.3877	0.262	3	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	129.5108	0.315	5	128.9121	0.222	17	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|C<3>,1|N<2>}	128.5090	0.000	1	128.9121	0.222	17	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){2|C<3>}	128.6765	0.242	11	128.9121	0.222	17	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|C<3>,1|O<2>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]S){3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	126.9775	0.136	2	126.9775	0.019	2	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC)	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S)	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	127.3140	0.342	4	127.3140	0.117	4	128.8565	1.211	34	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|N<2>,3|C<3>}	127.0550	0.000	1	127.0550	0.000	1	128.3136	0.837	5	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|Cl<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	129.3180	0.000	1	128.9230	0.312	2	128.3136	0.837	5	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|F<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	128.5280	0.000	1	128.9230	0.312	2	128.3136	0.837	5	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|O<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S){2|C<3>}	127.7380	0.000	1	127.7380	0.000	1	128.3136	0.837	5	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]S){3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]S){2|C<3>}	128.9290	0.000	1	128.9290	0.000	1	128.3136	0.837	5	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SAu)	N[6a](C[6a]N[6a]S)2	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SAu){1|N<2>,2|S<1>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	121.6870	0.000	1	121.6870	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.6993	0.428	4	127.6993	0.183	4	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.2760	1.130	2	127.9086	0.689	12	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.0351	0.770	10	127.9086	0.689	12	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.0244	0.374	10	128.1883	0.206	13	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.7347	0.159	3	128.1883	0.206	13	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<2>,1|C<3>}	129.1600	0.131	3	129.1600	0.017	3	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	125.5710	0.000	1	125.5710	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|C<4>,1|S<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<2>,1|C<3>}	127.3313	0.474	3	127.3313	0.225	3	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.1877	0.170	3	127.1877	0.029	3	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	126.6725	0.139	6	126.5837	0.043	8	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){2|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){2|C<3>}	126.3175	0.112	2	126.5837	0.043	8	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.6350	0.000	1	127.8720	0.336	4	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.9510	0.683	3	127.8720	0.336	4	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.0646	0.661	23	127.0646	0.436	23	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.0800	0.000	1	128.0800	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.9094	0.343	14	128.9198	0.111	15	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<3>}	129.0650	0.000	1	128.9198	0.111	15	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.9430	0.000	1	128.1205	0.073	6	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.2975	0.060	2	128.1205	0.073	6	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|N<2>}	128.2685	0.032	2	128.1205	0.073	6	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	127.6480	0.000	1	128.1205	0.073	6	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	126.5805	0.187	2	127.1105	0.423	4	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]S){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.6405	0.332	2	127.1105	0.423	4	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]S){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.5320	0.000	1	128.5320	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S){3|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	126.8140	0.000	1	126.8140	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.4270	0.437	6	127.4671	0.142	8	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){2|C<3>}	127.5875	0.059	2	127.4671	0.142	8	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|C<3>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.1165	0.267	2	128.1165	0.071	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	126.9790	0.000	1	126.9790	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC)	N[6a](C[6a]N[6a]S)2	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SC){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	126.1749	0.677	14	126.1749	0.459	14	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[5])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC[5]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.0100	0.000	1	128.0100	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC[6]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.9795	0.023	2	127.9795	0.001	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.5370	0.000	1	128.5370	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.9690	0.000	1	127.9690	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.0760	0.083	2	128.0760	0.007	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,1|H<1>,1|S<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.6930	0.000	1	127.6930	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SC[6a]){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	126.8420	1.640	2	126.8420	2.691	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SC[6a])	N[6a](C[6a]N[6a]S)2	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SC[6a]){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	126.7233	0.377	24	126.7233	0.142	24	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SFe)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SFe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	119.7050	0.000	1	119.7050	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SMn)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SMn){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	124.6175	0.822	2	124.6175	0.676	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SPd)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SPd){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	126.3170	0.000	1	126.3170	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SPt){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.2070	0.000	1	127.2070	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SPt){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.1940	0.000	1	127.1940	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SPt){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.2530	0.000	1	127.2530	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SPt){1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	126.5650	0.000	1	126.5650	0.000	1	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SPt)	N[6a](C[6a]N[6a]S)2	N[6a](C[6a]N[6a]S)2	C[6a](N[6a]C[6a])2(SPt){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	126.2675	0.305	2	126.2675	0.093	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SRe)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SRe){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	125.0890	0.269	2	125.0890	0.072	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SS){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	129.3375	0.258	2	129.3375	0.067	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SS){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.5233	0.184	3	128.5233	0.034	3	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.8755	0.241	2	127.8755	0.058	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SS)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SS){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]S){1|C<3>,1|H<1>}	129.9295	0.254	2	129.9295	0.064	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SSn)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SSn){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	127.1520	0.197	2	127.1520	0.039	2	127.3545	1.614	185	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-2:	N[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S)	C[6a](N[6a]N[5a,6a])(N[6a]C[6a])(SC){1|S<2>,2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]S){1|N<2>,1|N<3>}	129.3580	0.000	1	129.3580	0.000	1	129.3580	0.000	1	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SeC[6a])	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Se)2	C[6a](N[6a]C[6a])2(SeC[6a]){1|Se<2>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Se)2{1|C<3>}	128.4855	0.232	6	128.4855	0.054	6	128.3793	0.124	7	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	N[6a]-2:N[6a]-2:Se-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SeSn)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C)	C[6a](N[6a]C[6a])2(SeSn){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]Se)(C[6a]C[6a]C){1|C<3>,1|H<1>}	127.7420	0.000	1	127.7420	0.000	1	128.3793	0.124	7	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	126.8630	0.000	1	126.8630	0.000	1	126.9681	0.978	8	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	125.6415	0.127	2	125.6415	0.016	2	126.9681	0.978	8	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]S)2{1|C<3>}	126.8075	0.122	2	126.8075	0.015	2	126.9681	0.978	8	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:2:	3:3:	3:3:	S-2:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]S)2	C[6a](SB[5x3,5x5,20x6])(N[6a]C[6a])2{1|N<3>,1|O<1>,1|S<2>}	N[6a](C[6a]N[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]N[6a]S)2{1|C<3>,1|H<1>}	127.9947	0.187	3	127.9947	0.035	3	126.9681	0.978	8	127.4814	2.352	714	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](N[6a]N[6a])2(C[6]C[6]2){2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,3|C<3>}	125.5060	0.617	11	125.5060	0.381	11	125.5060	0.381	11	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NCC)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCC){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	124.3020	0.000	1	124.3020	0.000	1	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|Cl<1>,1|N<2>}	124.5460	0.000	1	124.8303	0.140	3	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	124.6900	0.000	1	124.8303	0.140	3	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NCH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	125.2550	0.000	1	124.8303	0.140	3	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	126.1030	0.000	1	125.9930	0.024	2	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	125.8830	0.000	1	125.9930	0.024	2	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NC[6a]2){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|H<1>,1|N<2>}	126.8970	0.198	3	126.8970	0.039	3	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NHH)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NHH){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|N<2>}	122.7610	0.000	1	122.7610	0.000	1	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:2:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(NHN)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(NHN){1|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|N<2>,1|N<3>}	125.4374	0.737	5	125.4374	0.543	5	125.4279	1.366	15	125.4609	0.919	26	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CC[6a]O){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]C){2|C<3>}	127.2460	0.000	1	127.2460	0.000	1	127.2460	0.000	1	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC){2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](N[6a]C[6a,6a])(C[6a]N[6a]N){2|C<3>}	128.6260	0.000	1	128.6260	0.000	1	128.6260	0.000	1	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|C<4>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	128.4390	0.000	1	128.5323	0.171	4	128.0127	0.866	12	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	128.6360	0.686	2	128.5323	0.171	4	128.0127	0.866	12	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|N<3>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	128.4180	0.000	1	128.5323	0.171	4	128.0127	0.866	12	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|Cl<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	126.8660	0.000	1	126.8160	0.032	4	128.0127	0.866	12	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHH){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){4|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	126.7993	0.214	3	126.8160	0.032	4	128.0127	0.866	12	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NHN){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	128.5020	0.000	1	128.5020	0.000	1	128.0127	0.866	12	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	2:3:	N[6a]-2:N[6a]-2:N-3:	N[5a,6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|H<1>,3|N<2>}	N[6a](N[6a]C[5a,6a])(C[6a]N[6a]N){1|N<2>,1|N<3>}	128.7523	0.339	3	128.7523	0.115	3	128.0127	0.866	12	128.0017	0.807	14	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H){2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|N<2>,3|C<3>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	126.0940	0.000	1	126.0940	0.000	1	125.2536	1.671	18	125.2897	1.603	19	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|C<4>}	125.2470	0.000	1	125.2470	0.000	1	125.2536	1.671	18	125.2897	1.603	19	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){1|C<3>,1|H<1>}	124.7934	0.225	5	124.7934	0.051	5	125.2536	1.671	18	125.2897	1.603	19	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	125.8480	0.000	1	125.3869	2.624	11	125.2536	1.671	18	125.2897	1.603	19	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:2:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(N[6a]C[6a])	C[6a](N[6a]C[6a])(N[6a]N[6a])(NHH){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]N)(N[6a]C[6a]){2|C<3>}	125.3408	1.700	10	125.3869	2.624	11	125.2536	1.671	18	125.2897	1.603	19	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:2:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6])	N[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a])	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(N[6]C[6]2){2|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N[6]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(N[6a]C[6a,6a]){2|C<3>,2|C<4>}	125.9400	0.000	1	125.9400	0.000	1	125.9400	0.000	1	125.2897	1.603	19	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(COO){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|O<2>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C){2|C<3>}	127.8430	0.000	1	127.8430	0.000	1	127.8430	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CCH)	N[6a](C[6a]N[6a]C)2	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CCH){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	126.0500	0.000	1	126.0500	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CCN)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CCN){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]H){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	123.7060	0.000	1	123.7060	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC[5a]2)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CC[5a]2){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	125.6670	0.000	1	125.6670	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	125.4540	0.000	1	125.4540	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC[6a]O)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CC[6a]O){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|H<1>}	128.1560	0.000	1	128.1560	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CNN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CNN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	126.5990	1.116	3	126.5990	1.247	3	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CNO)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CNO){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	127.2750	0.000	1	127.2750	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(COO)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	128.3520	0.000	1	128.3520	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(COO)	N[6a](C[6a]N[6a]C)2	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(COO){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	125.9950	0.000	1	125.9950	0.000	1	126.4047	1.925	11	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2)	C[6a](N[6a]C[6a])2(C[5]N[5]2){2|C<4>,2|O<1>,3|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]2){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	128.4940	0.000	1	128.4940	0.000	1	128.3390	7.810	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(C[5]N[5]2){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	126.8605	0.313	2	128.3003	10.404	4	128.3390	7.810	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(C[5]N[5]2){1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	133.1180	0.000	1	128.3003	10.404	4	128.3390	7.810	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[5]N[5]2)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(C[5]N[5]2){2|Se<2>,1|C<3>,2|H<1>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	126.3620	0.000	1	128.3003	10.404	4	128.3390	7.810	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){5|C<3>}	125.5780	0.000	1	125.5780	0.000	1	125.5008	0.959	102	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){3|C<3>}	127.2755	0.852	4	127.2755	0.726	4	125.5008	0.959	102	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])2	N[6a](C[6a]N[6a]C[6])2	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	125.4134	0.678	11	125.3425	0.693	93	125.5008	0.959	102	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[6]C[6]2)	N[6a](C[6a]N[6a]C[6])2	N[6a](C[6a]N[6a]C[6])2	C[6a](N[6a]C[6a])2(C[6]C[6]2){1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	N[6a](C[6a]N[6a]C[6])2{5|C<3>}	125.3330	0.854	82	125.3425	0.693	93	125.5008	0.959	102	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[6]N[6]2)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	126.2500	0.000	1	127.3888	0.579	4	125.5008	0.959	102	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(C[6]N[6]2)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(C[6]N[6]2){3|C<3>,3|H<1>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.7683	0.067	3	127.3888	0.579	4	125.5008	0.959	102	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2)	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(N[6a]C[6,6a])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	125.2820	0.000	1	125.2820	0.000	1	125.2820	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	127.8595	0.218	2	128.0962	0.270	8	128.0928	0.210	10	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|Br<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|Br<1>,5|C<3>}	128.2920	0.000	1	128.0962	0.270	8	128.0928	0.210	10	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|F<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	128.1518	0.647	5	128.0962	0.270	8	128.0928	0.210	10	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	128.0690	0.000	1	128.0790	0.000	2	128.0928	0.210	10	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])2(C[6a]C[6a]2){2|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	128.0890	0.000	1	128.0790	0.000	2	128.0928	0.210	10	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[5,6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	N[6a](C[6a]C[5,6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	126.7270	0.000	1	126.7270	0.000	1	126.7270	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|C<3>,2|C<4>}	N[6a](C[5,6a]C[5,6a]C[5])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[5,6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.6740	0.000	1	126.6740	0.000	1	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NCC){1|O<1>,2|N<3>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|S<4>,2|C<3>}	N[6a](C[6a]N[5,6a]O)(C[6a]N[6a]N){2|C<3>}	125.9630	0.000	1	125.9630	0.000	1	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[5,6a]C[5,6a]C[5,6])(C[6a]N[6a]N){1|C<3>,4|C<4>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	126.2840	0.000	1	126.2840	0.000	1	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	126.1283	1.738	3	126.1283	3.022	3	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	125.6180	0.000	1	125.6180	0.000	1	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|C<4>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	128.3775	1.002	4	128.3582	0.653	6	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]N[6a]N){1|Co<6>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<3>}	128.3195	0.500	2	128.3582	0.653	6	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH)	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]N)	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	127.6940	0.000	1	127.6940	0.000	1	127.1976	2.015	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH)	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6,6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6,6a]N[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6,6a]C[5a,6,6a]S[6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	127.1430	0.000	1	127.1430	0.000	1	127.1430	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	128.2990	0.000	1	128.2990	0.000	1	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.4660	0.369	4	127.4660	0.136	4	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	128.6460	0.000	1	128.6460	0.000	1	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	125.7910	0.000	1	125.6873	0.319	3	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	125.6355	0.788	2	125.6873	0.319	3	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	128.8310	0.000	1	128.8310	0.000	1	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]N){1|C<3>,1|N<3>}	127.4250	0.226	2	127.4250	0.051	2	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.5927	0.624	4	126.5150	0.233	7	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.1760	0.000	1	126.5150	0.233	7	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.5290	0.300	2	126.5150	0.233	7	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.2652	0.391	6	126.3367	0.163	7	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N){2|C<3>}	126.7660	0.000	1	126.3367	0.163	7	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.6450	0.000	1	127.6410	0.144	24	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<3>}	127.8280	0.000	1	127.6410	0.144	24	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.8712	0.258	6	127.6410	0.144	24	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	127.9530	0.000	1	127.6410	0.144	24	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	127.5430	0.000	1	127.6410	0.144	24	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.6104	0.330	8	127.6410	0.144	24	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N){2|C<3>}	127.3843	0.522	6	127.6410	0.144	24	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N[5])(C[6a]N[6a]N){2|C<3>,2|C<4>}	127.3175	0.457	2	127.3175	0.209	2	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.3875	0.231	2	127.3390	0.034	3	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	127.2420	0.000	1	127.3390	0.034	3	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.3530	0.000	1	127.0938	0.222	4	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){2|C<3>}	126.7500	0.000	1	127.0938	0.222	4	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]S)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.1360	0.690	2	127.0938	0.222	4	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.9060	0.549	2	126.9060	0.301	2	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NHH){1|O<1>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]N[5a,6a]O)(C[6a]N[6a]N){2|C<3>}	126.6905	0.492	4	126.6905	0.242	4	127.1769	0.570	65	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<4>,2|C<3>}	N[6a](C[6,6a]C[5,6,6]C[6,6a])(C[6a]N[6a]N){1|C<3>,1|H<1>,3|C<4>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	124.5040	0.000	1	124.5040	0.000	1	126.3192	1.587	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	125.6730	0.000	1	125.6730	0.000	1	126.3192	1.587	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N){2|C<3>}	126.8190	0.000	2	126.8190	0.000	2	126.3192	1.587	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	127.7810	0.000	1	127.7810	0.000	1	126.3192	1.587	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NCC)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])2(NCC){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	127.2890	0.311	2	127.2890	0.097	2	127.2658	0.106	6	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<2>,2|N<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	127.1790	0.000	1	127.2542	0.144	4	127.2658	0.106	6	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]N){3|C<3>}	127.2793	0.460	3	127.2542	0.144	4	127.2658	0.106	6	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	125.6040	0.000	1	125.1965	0.332	2	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCC){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a,6a]C)(C[6a]N[6a]N){2|C<3>}	124.7890	0.000	1	125.1965	0.332	2	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]N){4|C<3>}	125.7240	0.000	1	125.7240	0.000	1	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	126.2440	0.000	1	126.2440	0.000	1	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NCH){1|N<3>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]N){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.5775	0.474	2	127.5775	0.225	2	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N){2|C<3>}	128.5015	0.490	2	128.5015	0.240	2	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H){1|C<3>,2|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){2|C<3>}	126.7840	0.000	1	126.7840	0.000	1	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N){2|C<3>}	125.4880	0.000	1	125.4880	0.000	1	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a,6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.4877	0.103	3	127.4877	0.011	3	126.8657	1.459	13	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|O<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]C[5a])(C[6a]N[6a]N){1|O<2>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]N){3|C<3>}	125.9270	0.000	1	125.9270	0.000	1	125.9270	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH)	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N)	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(NHH){3|C<3>}	N[6a](C[6a]C[6,6a]C[6a])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	126.4540	0.000	1	126.4540	0.000	1	126.4540	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.3040	0.000	1	125.3040	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6925	0.257	2	126.6925	0.066	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	129.1910	0.091	2	129.1910	0.008	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|C<4>}	124.9940	0.000	1	124.9940	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	124.8860	0.000	1	124.7957	0.142	10	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	124.7283	0.270	4	124.7957	0.142	10	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	124.8316	0.506	5	124.7957	0.142	10	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.3100	0.000	1	127.3100	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	128.0030	0.000	1	127.6600	0.235	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	127.3170	0.000	1	127.6600	0.235	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.1640	0.000	1	125.1640	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCC){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	120.4150	0.000	1	120.4150	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	124.2095	0.103	2	124.2095	0.011	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	124.4210	0.000	1	124.4210	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	124.2050	0.000	1	124.2050	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.5212	0.995	8	124.5212	0.990	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	124.2952	0.814	6	124.2952	0.662	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.2720	0.912	3	125.2720	0.833	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	125.3210	0.000	1	125.3210	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.8615	0.557	46	125.8608	0.303	47	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.8300	0.000	1	125.8608	0.303	47	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){3|C<3>}	123.8200	0.000	1	123.8200	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCC)	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCC){2|Se<2>,1|N<2>}	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Se)(C[6a]N[6a]N){1|C<3>}	123.7820	0.312	3	123.7820	0.097	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<2>,3|C<3>}	125.2275	0.525	2	125.5370	0.425	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	126.1560	0.000	1	125.5370	0.425	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.0355	0.293	2	126.0355	0.086	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.8624	0.665	18	126.8624	0.442	18	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.3650	0.000	1	126.3650	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	N[6a](C[6a]C[6a]C[5])(C[6a]N[6a]N){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.6390	0.000	1	127.6390	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.2490	1.318	2	126.2490	1.737	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.0887	1.790	3	126.0887	3.204	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	125.2695	1.579	2	126.0571	0.615	20	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.1423	0.699	17	126.0571	0.615	20	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	126.1840	0.000	1	126.0571	0.615	20	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6750	0.099	2	126.6750	0.010	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.6270	0.000	1	127.5547	0.009	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.4735	0.040	2	127.5547	0.009	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	127.6450	0.000	1	127.5547	0.009	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|Br<1>,1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	125.7880	0.000	1	125.7880	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.5712	0.590	21	127.5577	0.335	22	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.2740	0.000	1	127.5577	0.335	22	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	125.7645	0.648	2	125.7645	0.420	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	126.3582	0.472	4	126.3582	0.223	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	124.1205	0.526	6	124.1205	0.276	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	124.0090	0.000	1	124.0090	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.2157	0.448	26	125.1903	0.210	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,2|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.5320	0.000	1	125.1903	0.210	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.6023	0.675	3	125.6023	0.456	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.1576	0.728	27	126.1576	0.530	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	125.0125	0.368	2	125.0125	0.136	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	125.7330	0.000	1	125.7330	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCN)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NCN){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.6788	0.064	4	126.6788	0.004	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	127.3530	0.202	3	127.2533	0.067	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCS)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCS){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	126.9540	0.000	1	127.2533	0.067	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[5]C)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[5]C){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.4610	0.000	1	126.4610	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[5]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[5]H){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	126.5440	0.000	1	126.5440	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.5228	0.450	5	127.5228	0.202	5	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.3550	0.000	1	127.3550	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[5a]H)	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[5a]H){1|N<2>,2|F<1>}	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]F)(C[6a]N[6a]N){1|C<3>}	124.4510	0.000	1	124.4510	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N){1|S<2>,2|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N){1|S<2>,2|C<3>}	126.7110	0.000	1	126.7110	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.6997	1.460	7	126.6997	2.130	7	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	125.7310	0.429	6	125.7310	0.184	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]2)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	128.0699	0.630	14	128.0699	0.396	14	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	124.3770	0.000	1	124.3770	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]C){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.5330	0.000	1	126.5330	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.0530	0.024	2	125.0530	0.001	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.1660	0.281	2	125.1660	0.079	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]C)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.7875	0.463	2	125.7875	0.215	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	124.4460	0.000	1	124.4460	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6]H){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	124.5700	0.346	2	124.5700	0.120	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	124.9240	0.000	1	124.9240	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.1470	0.000	1	125.1470	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	125.3480	0.000	1	125.3480	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]2){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	123.9860	0.000	1	123.9860	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6a]2){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	125.0960	0.496	3	125.0960	0.246	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	126.0007	0.261	3	126.0007	0.068	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]2)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	127.6076	1.274	17	127.6076	1.622	17	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	125.5970	0.000	1	125.5970	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.7455	0.148	2	127.7455	0.022	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<2>,1|C<3>}	128.8170	0.000	1	128.8170	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.4921	0.382	27	125.4921	0.146	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.9870	0.620	5	126.9870	0.384	5	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]C)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	125.2150	0.000	1	125.2150	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.5803	0.251	4	126.5803	0.063	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	126.3270	0.000	1	126.1845	0.144	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.1370	0.450	3	126.1845	0.144	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.8800	0.441	6	126.8800	0.194	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C[3])(C[6a]N[6a]N){1|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6440	0.000	1	126.6440	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6960	0.000	1	126.6960	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.8065	0.664	11	125.8065	0.441	11	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.0753	0.450	3	126.0753	0.202	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.0775	0.579	2	125.0775	0.335	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){2|Cl<1>,1|N<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	124.6537	0.628	3	124.6537	0.394	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	124.5925	0.344	4	124.5925	0.118	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.4368	0.211	6	125.4368	0.044	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	124.5170	0.000	1	124.5170	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.6545	0.627	8	126.6545	0.393	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	125.6950	0.000	1	125.6950	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NC[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.0305	0.409	2	125.0305	0.168	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NCaS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NCaS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.0090	0.000	1	125.0090	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	126.8370	0.000	1	126.8370	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.8960	0.000	1	126.8960	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.0717	0.537	4	125.2344	0.348	5	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.8850	0.000	1	125.2344	0.348	5	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	126.5247	0.281	4	126.5247	0.079	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.7377	0.655	10	125.7844	0.397	12	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){4|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	125.5850	0.000	1	125.7844	0.397	12	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.4510	0.000	1	125.7844	0.397	12	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	124.6600	0.000	1	125.3173	0.209	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|F<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	125.3735	0.149	2	125.3173	0.209	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.9610	0.000	1	125.3173	0.209	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.2925	0.441	4	125.3173	0.209	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|S<2>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6650	0.000	1	126.6650	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<2>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.5095	0.452	2	124.8162	0.631	34	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.3690	0.000	1	124.8162	0.631	34	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	124.7536	0.801	31	124.8162	0.631	34	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	126.5860	0.000	1	126.3947	0.334	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	126.3564	0.637	5	126.3947	0.334	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.9500	0.000	1	125.9500	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.4400	0.000	1	125.4400	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.2410	0.000	1	126.2410	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	124.6462	0.287	8	124.6462	0.082	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){2|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.2700	0.000	1	125.2700	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	126.5090	0.000	1	126.1078	0.612	20	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.2551	1.144	8	126.1078	0.612	20	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	125.9642	0.437	11	126.1078	0.612	20	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.5355	0.247	2	125.5355	0.061	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	121.5020	0.000	1	124.6624	0.744	50	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<2>,1|C<3>}	125.1545	0.442	4	124.6624	0.744	50	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	124.5741	0.616	28	124.6624	0.744	50	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|I<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|I<1>}	125.9340	0.000	1	124.6624	0.744	50	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|N<3>}	125.6147	0.748	3	124.6624	0.744	50	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Cl<1>,1|C<3>}	125.1720	0.000	1	124.6624	0.744	50	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){2|C<3>}	124.5811	0.889	12	124.6624	0.744	50	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|C<4>}	125.5782	0.239	5	126.0417	0.190	14	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.2992	0.268	9	126.0417	0.190	14	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.6400	0.178	2	125.6400	0.032	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.5415	0.162	2	127.2691	0.251	10	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	128.0320	0.000	1	127.2691	0.251	10	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	127.3680	0.296	7	127.2691	0.251	10	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	127.3124	0.513	16	127.2529	0.307	17	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	126.3020	0.000	1	127.2529	0.307	17	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	127.6270	0.000	1	127.6270	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){2|C<3>}	127.0215	0.206	2	127.0215	0.042	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|H<1>,1|N<2>,2|C<3>}	125.9550	0.000	1	125.9550	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[5a])(C[6a]N[6a]N){1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	125.4706	0.705	5	125.4706	0.498	5	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6890	0.000	1	126.6890	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.5477	0.404	6	126.3206	0.325	9	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]N){2|C<3>}	125.8663	0.652	3	126.3206	0.325	9	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]N){2|C<3>}	127.3975	0.127	2	127.3975	0.016	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	127.9880	0.000	1	127.4120	0.152	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	127.3140	0.000	1	127.4120	0.152	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	127.1730	0.030	2	127.4120	0.152	4	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	126.6395	0.375	2	126.5977	0.076	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){1|C<3>,1|N<2>,2|C<4>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.5140	0.000	1	126.5977	0.076	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<3>,1|S<2>}	N[6a](C[6a]C[6a]N[6])(C[6a]N[6a]N){2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){2|C<3>}	126.0390	0.000	1	126.0390	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	124.9650	0.000	1	124.9650	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|C<3>,2|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.0540	0.000	1	125.1512	1.595	233	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.5705	1.917	18	125.1512	1.595	233	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.1142	1.197	213	125.1512	1.595	233	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<4>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	125.5750	0.000	1	125.1512	1.595	233	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.8037	0.598	21	125.9737	0.533	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<2>}	126.6382	0.978	5	125.9737	0.533	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]N){1|C<3>,1|N<3>}	126.2210	0.000	1	125.9737	0.533	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,2|S<2>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]S)(C[6a]N[6a]N){1|C<3>,1|H<1>}	125.9337	0.557	3	125.9337	0.310	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	124.6650	0.000	1	124.6650	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	123.6535	0.052	2	123.6535	0.003	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|H<1>,1|N<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	124.9590	0.000	1	124.9590	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.9549	0.464	16	124.9549	0.215	16	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	123.4265	0.033	2	123.4265	0.001	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.8003	1.330	8	124.8003	1.770	8	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.2940	0.281	6	124.2940	0.079	6	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|H<1>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	121.9260	0.000	1	121.9260	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<3>,1|O<1>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>,1|C<4>}	124.8980	0.000	1	124.8980	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]H)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.3617	0.418	3	124.3617	0.175	3	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	124.8390	0.000	1	124.8390	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|S<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]S){1|C<3>}	124.8470	0.000	1	124.8470	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,1|N<3>,1|N<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	122.9360	2.278	7	124.6223	4.315	113	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	124.8297	1.871	104	124.6223	4.315	113	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){3|N<2>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	119.7415	4.417	2	124.6223	4.315	113	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	125.8970	0.296	2	125.8970	0.087	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.4103	0.840	4	126.4284	0.530	5	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHH)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHH){1|N<3>,2|N<2>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.5010	0.000	1	126.4284	0.530	5	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.3160	0.000	1	127.3160	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|Br<1>,1|C<3>}	126.3420	0.000	1	126.9295	0.690	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHN){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|F<1>}	127.5170	0.000	1	126.9295	0.690	2	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	126.1344	0.514	10	126.1344	0.264	10	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHN){1|Cl<1>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	126.2080	0.000	1	126.2080	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHN)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NHN){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	127.9810	0.000	1	127.9810	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|C<4>}	128.6030	0.000	1	127.2289	0.761	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.1760	0.844	26	127.2289	0.761	27	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.3483	0.293	71	127.3483	0.086	71	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.1623	0.311	11	127.0076	0.198	17	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHS){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|O<2>}	126.7242	0.540	6	127.0076	0.198	17	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	126.5710	0.000	1	126.5710	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NHS)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(NHS){1|N<2>,2|O<2>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	N[6a](C[6a]N[6a]N)(C[6a]N[6a]O){1|C<3>}	126.6150	0.000	1	126.6150	0.000	1	125.7406	2.047	1211	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5])	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[5]){1|N<2>,1|S<2>,2|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]C){1|C<3>,1|S<2>,2|C<4>}	126.5610	0.000	1	126.5610	0.000	1	126.3615	0.080	2	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5])	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]S[6])(C[6a]N[6a]N[5]){1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6,6a]H){1|C<3>,1|N<3>,2|C<4>}	126.1620	0.000	1	126.1620	0.000	1	126.3615	0.080	2	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5])	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[5]C[5]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[5]){3|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[5]){2|C<3>,2|C<4>}	126.3760	0.000	1	126.3760	0.000	1	126.3760	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5])	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[6a](C[6a]C[6a]N[5])(C[6a]N[6a]N[5]){1|C<3>,1|H<1>,4|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	124.6210	0.000	1	124.6210	0.000	1	128.6361	3.929	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|C<4>,2|O<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|H<1>,3|C<3>}	129.0740	1.136	2	129.0740	1.290	2	128.6361	3.929	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|N<3>,2|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	129.6933	0.143	4	129.4422	0.693	9	128.6361	3.929	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[5]C[5]2){1|Pd<4>,1|N<3>,2|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	129.2414	1.121	5	129.4422	0.693	9	128.6361	3.929	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O)	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|O<1>,2|O<2>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]O){1|H<1>,3|C<3>}	129.1680	0.000	1	129.1680	0.000	1	128.6361	3.929	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[5]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[5]C[5]2)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(N[5]C[5]2){2|Cl<1>,1|N<2>,1|O<2>,2|H<1>,3|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	123.9880	0.000	1	123.9880	0.000	1	128.6361	3.929	14	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N[6])	N[6a](C[6a]N[6a]N[6])(C[6a]N[5,6a]O)	C[6a](N[6a]C[5,6a])(N[6a]C[6a])(N[6]C[6]2){1|O<1>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[5,6a]N[5,6a]N[5])(C[6a]N[6a]N[6]){1|S<4>,2|C<3>,3|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[5,6a]O){2|C<3>,2|C<4>}	127.4760	0.000	1	127.4760	0.000	1	127.4760	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N[6])	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2){2|C<3>,2|C<4>,5|H<1>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]N[6]){1|N<3>,2|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]H)(C[6a]N[6a]N[6]){1|C<3>,1|N<3>,2|C<4>}	127.4595	0.036	2	127.4595	0.001	2	126.9053	0.922	3	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6])	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]N[6a]N[6]){2|C<4>,3|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	125.7970	0.000	1	125.7970	0.000	1	126.9053	0.922	3	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[6])	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6,6a]H){2|C<3>,2|C<4>}	125.8880	0.000	1	125.8880	0.000	1	125.8880	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2)	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6])	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6])	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(N[6]C[6]2){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]N[6a]N[6]){3|C<3>,3|C<4>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]N[6]){2|C<3>,2|C<4>}	126.0961	0.247	8	126.0961	0.061	8	126.0961	0.061	8	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	126.3850	0.000	1	126.3850	0.000	1	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|N<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>}	124.8487	0.105	3	124.8487	0.011	3	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	126.1637	0.888	18	126.5663	2.316	23	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,6|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	125.3120	0.000	1	126.5663	2.316	23	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,3|C<4>,5|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>}	125.3620	0.000	1	126.5663	2.316	23	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2){3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|H<1>,3|C<3>}	129.8017	0.309	3	126.5663	2.316	23	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]S){1|Br<1>,1|C<3>,2|C<4>}	125.1800	0.436	4	125.1800	0.190	4	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]N){1|C<3>,1|N<2>,2|C<4>}	127.5510	0.000	1	127.5510	0.000	1	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si)	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Si<4>,1|C<3>,2|C<4>,5|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]Si){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	125.7450	0.000	1	125.7450	0.000	1	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	C[6a](N[6a]C[6a])2(N[6]C[6]2){2|Cl<1>,1|N<2>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	123.1913	0.535	3	123.1913	0.286	3	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	125.1880	0.178	4	125.1880	0.032	4	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|O<2>,2|C<4>,2|O<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	127.6690	0.000	1	127.6690	0.000	1	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]N[6])2	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]Cl){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])2{1|C<3>,4|C<4>}	124.9032	0.139	6	124.9032	0.019	6	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){3|C<3>}	130.8810	0.000	1	126.2157	10.036	4	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	124.7030	1.038	2	126.2157	10.036	4	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,2|C<4>,2|N<2>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	124.5760	0.000	1	126.2157	10.036	4	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N[6])2	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]N){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])2{1|C<3>,4|C<4>}	126.2680	0.346	2	126.2680	0.120	2	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|O<2>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){1|C<3>,2|C<4>}	124.5335	0.087	2	124.5335	0.008	2	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5])	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O)	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]N[5]){1|C<3>,4|C<4>}	N[6a](C[6a]N[6a]N[6])(C[6a]O[6a]O){1|C<3>,2|C<4>}	126.7480	0.000	1	126.7480	0.000	1	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:N[6]-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(N[6]C[6]2)	N[6a](C[6a]N[6a]N[6])2	N[6a](C[6a]N[6a]N[6])2	C[6a](N[6a]C[6a])2(N[6]C[6]2){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	N[6a](C[6a]N[6a]N[6])2{1|C<3>,4|C<4>}	N[6a](C[6a]N[6a]N[6])2{1|C<3>,4|C<4>}	125.7780	0.277	2	125.7780	0.077	2	125.8303	2.442	58	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:P-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(PC[6a]2)	N[6a](C[6a]N[6a]P)2	N[6a](C[6a]N[6a]P)2	C[6a](N[6a]C[6a])2(PC[6a]2){1|N<2>,2|P<3>}	N[6a](C[6a]N[6a]P)2{1|C<3>}	N[6a](C[6a]N[6a]P)2{1|C<3>}	125.0108	0.189	5	125.0108	0.036	5	125.0108	0.036	5	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:3:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-3:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SFe2)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SFe2){1|C<3>,2|C<4>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.4870	0.000	1	128.4870	0.000	1	128.4870	0.000	1	125.8831	2.152	1542	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:2:	3:2:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CCHH){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	124.5812	0.809	9	124.5812	0.655	9	124.5214	0.411	18	124.5214	0.411	18	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:2:	3:2:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(CC[6a]HH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	124.4935	0.134	2	124.5091	0.112	7	124.5214	0.411	18	124.5214	0.411	18	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:2:	3:2:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(CC[6a]HH)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CC[6a]HH){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<4>,1|N<2>}	124.5154	0.403	5	124.5091	0.112	7	124.5214	0.411	18	124.5214	0.411	18	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:2:	3:2:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[6a]N[6a])2(CH3)	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	N[6a](C[6a]N[6a]C)(N[6a]C[6a])	C[6a](N[6a]N[6a])2(CH3){1|C<3>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	N[6a](C[6a]N[6a]C)(N[6a]C[6a]){1|C<3>,1|N<2>}	124.2955	0.969	2	124.2955	0.940	2	124.5214	0.411	18	124.5214	0.411	18	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C)	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CCHH){1|N<2>,2|N<3>}	N[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]N[6a]C){3|C<3>}	N[6a](C[6a]N[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	126.5563	0.164	3	126.5563	0.027	3	127.0700	1.282	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3)	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CF3){1|C<4>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a,6a]C)(C[6a]N[6a]C){1|C<3>,1|N<3>}	129.5070	0.000	1	129.5070	0.000	1	127.0700	1.282	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|N<3>,2|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	126.1250	0.000	1	126.1250	0.000	1	127.0700	1.282	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,2|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]C){4|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){2|C<3>}	127.0160	0.000	1	127.0160	0.000	1	127.0700	1.282	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3)	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C)	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(CH3){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]C){1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]C){1|C<3>,1|N<2>}	127.1730	0.000	1	127.1730	0.000	1	127.0700	1.282	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,2|N<2>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	N[6a](C[6a,6a]C[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	128.8047	0.104	3	128.8047	0.011	3	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CC3)	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CC3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a,6a]N[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]N[3x6a]N[6a])(C[6a]N[6a]C){3|C<3>}	125.8430	0.000	1	125.8430	0.000	1	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	130.1940	0.000	1	129.6850	0.092	12	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|C<4>,3|C<3>}	129.7240	0.000	1	129.6850	0.092	12	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	129.5680	0.359	3	129.6850	0.092	12	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Sn<4>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Sn<4>,3|C<3>}	129.4160	0.000	1	129.6850	0.092	12	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CCFF)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CCFF){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){4|C<3>}	129.6970	0.277	6	129.6850	0.092	12	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Br<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	130.1517	0.078	3	130.1170	0.028	9	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Cl<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|Cl<1>,3|C<3>}	129.8060	0.000	1	130.1170	0.028	9	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CF3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CF3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	130.1584	0.162	5	130.1170	0.028	9	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])2(CH3)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])2(CH3){3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	127.2100	0.000	1	127.2100	0.000	1	129.4900	1.007	26	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CCHH){1|S<2>,2|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]S)(C[6a]N[6a]C){2|C<3>}	126.2930	0.000	1	126.2930	0.000	1	126.6976	0.083	5	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CC[5]CC){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	126.9715	0.086	2	126.9715	0.007	2	126.6976	0.083	5	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3)	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C)	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(CH3){1|N<2>,2|N<3>}	N[6a](C[6a,6a]N[6a,6a]N[6a])(C[6a]N[6a]C){3|C<3>}	N[6a](C[6a]N[6a,6a]N)(C[6a]N[6a]C){2|C<3>}	126.6260	0.000	2	126.6260	0.000	2	126.6976	0.083	5	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(CF3){3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]C){1|H<1>,1|N<3>,2|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]N[6a]C){4|C<3>}	127.9250	0.000	1	127.9250	0.000	1	127.9250	0.000	1	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CCCN)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CCCN){1|O<2>,2|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|O<2>}	125.8495	0.301	2	125.8495	0.090	2	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CCHH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	125.3410	0.000	1	125.3410	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C){3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C){3|C<3>}	125.5960	0.000	1	125.5960	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CCHH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	127.1210	0.000	1	127.1210	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CCHH)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CCHH){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	125.0985	0.182	2	125.0985	0.033	2	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC[5]CH)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CC[5]CH){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	124.9140	0.000	1	124.9140	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CC[6a]HH)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CC[6a]HH){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	126.8200	0.000	1	126.8200	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CF3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	130.2293	0.414	4	130.2293	0.172	4	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CF3)	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CF3){1|Ir<6>,1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]Ir)(C[6a]N[6a]C){2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){2|C<3>}	129.7665	0.686	4	129.7665	0.470	4	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	126.9770	0.000	1	126.9770	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|C<3>,1|H<1>}	125.9460	0.000	1	125.9460	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|Br<1>,1|C<3>}	126.1060	0.000	1	126.1060	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<3>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|Cl<1>,1|C<3>}	125.8649	0.284	10	125.8649	0.081	10	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<2>}	125.0740	0.000	1	125.4110	0.227	2	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|C<3>,1|O<2>}	N[6a](C[6a]C[6a]Cl)(C[6a]N[6a]C){1|C<3>,1|N<3>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C){1|C<3>,1|N<3>}	125.7480	0.000	1	125.4110	0.227	2	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|H<1>,1|N<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	123.8708	2.638	4	123.8708	6.960	4	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|C<4>}	126.1220	0.000	1	127.0010	0.572	4	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CH3){1|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]N)(C[6a]N[6a]C){1|C<3>,1|H<1>}	127.2940	0.586	3	127.0010	0.572	4	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CH3){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	125.9006	0.654	8	125.9006	0.427	8	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(CH3){1|N<2>,1|N<3>,1|O<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	123.6984	1.647	5	123.6984	2.712	5	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CH3){1|C<4>,1|N<2>,1|N<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	125.6445	0.215	4	125.2163	2.513	6	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CH3){1|C<4>,2|N<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	124.3600	3.198	2	125.2163	2.513	6	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]C)2	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CH3){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	125.2290	0.330	2	125.2290	0.109	2	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CH3)	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O)	C[6a](N[6a]C[6a])2(CH3){1|Cl<1>,1|N<2>,1|O<2>}	N[6a](C[6a]N[6a]Cl)(C[6a]N[6a]C){1|C<3>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]O){1|C<3>}	124.6840	0.000	1	124.6840	0.000	1	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CHHN)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](N[6a]C[6a])2(CHHN){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	127.3505	0.052	2	127.3505	0.003	2	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CN[5a]3)	N[6a](C[6a]N[6a]C)2	N[6a](C[6a]N[6a]C)2	C[6a](N[6a]C[6a])2(CN[5a]3){1|N<2>,2|C<4>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	N[6a](C[6a]N[6a]C)2{1|C<3>}	125.8967	0.865	3	125.8967	0.748	3	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:C-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(CN[5a]HH)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(CN[5a]HH){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]C)(C[6a]N[6a]N){1|C<3>}	127.5730	0.061	2	127.5730	0.004	2	126.1352	3.703	69	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NH3){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	120.5310	0.000	1	120.5310	0.000	1	123.9459	8.655	12	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NH3){1|C<3>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	121.7790	0.000	1	121.7790	0.000	1	123.9459	8.655	12	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NH3)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NH3){1|N<2>,2|N<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	122.6840	3.388	4	122.6840	11.480	4	123.9459	8.655	12	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NNiCH)	N[6a](C[6a]N[6a]N)2	N[6a](C[6a]N[6a]N)2	C[6a](N[6a]C[6a])2(NNiCH){1|N<2>,1|N<3>,1|N<4>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	N[6a](C[6a]N[6a]N)2{1|C<3>}	128.1730	0.526	2	128.1730	0.277	2	123.9459	8.655	12	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:N-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(NSn3)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](N[6a]C[6a])2(NSn3){1|C<3>,1|C<4>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	124.4898	0.531	4	124.4898	0.282	4	123.9459	8.655	12	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(PC[6a]2Cu)	N[6a](C[6a]N[6a]P)2	N[6a](C[6a]N[6a]P)2	C[6a](N[6a]C[6a])2(PC[6a]2Cu){1|N<2>,2|P<4>}	N[6a](C[6a]N[6a]P)2{1|C<3>}	N[6a](C[6a]N[6a]P)2{1|C<3>}	125.2410	0.679	9	125.2410	0.462	9	125.6160	1.076	11	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(PC[6a]2O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P)	C[6a](N[6a]C[6a])2(PC[6a]2O){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P){3|C<3>}	127.0710	0.000	1	127.0710	0.000	1	125.6160	1.076	11	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:P-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(PC[6a]2O)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P)	C[6a](N[6a]C[6a])2(PC[6a]2O){1|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P){3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P){3|C<3>}	127.5360	0.000	1	127.5360	0.000	1	125.6160	1.076	11	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|Cl<1>,1|C<3>,1|N<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]N[6a]S){2|C<3>}	129.9200	0.000	1	129.9200	0.000	1	130.5813	0.338	3	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO)	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(SCOO){1|C<3>,1|N<3>,1|O<2>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]S){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S){2|C<3>}	130.9120	0.141	2	130.9120	0.020	2	130.5813	0.338	3	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SCOO){1|C<3>,2|C<2>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]C)(C[6a]N[6a]S){1|C<3>,1|H<1>}	130.6360	0.000	1	130.6360	0.000	1	129.3814	1.313	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SCOO){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	129.4620	0.000	1	129.4620	0.000	1	129.3814	1.313	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SCOO)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SCOO){1|C<3>,2|O<2>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S){1|C<3>,1|H<1>}	130.4350	0.263	2	130.4350	0.069	2	129.3814	1.313	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SFe2H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SFe2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.0560	0.000	1	128.0560	0.000	1	129.3814	1.313	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]2)(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.3970	0.000	1	128.3970	0.000	1	129.3814	1.313	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:2:4:	3:3:	3:3:	N[6a]-2:N[6a]-2:S-4:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a])2(SO3)	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S)	C[6a](N[6a]C[6a])2(SO3){1|H<1>,2|C<3>}	N[6a](C[6a]C[6a]C[6])(C[6a]N[6a]S){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]S){1|C<3>,1|H<1>}	128.2490	0.000	1	128.2490	0.000	1	129.3814	1.313	7	126.8618	5.873	141	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:2:	N[6a]-2:C[6]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a])	C[6a](N[6a]C[6a,6a])(C[6]C[6]N[6])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a,6a]){1|N<3>,3|C<3>}	127.5670	0.000	1	127.5670	0.000	1	127.5670	0.000	1	126.1340	0.972	4	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:2:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a]){4|C<3>}	125.6563	0.298	3	125.6563	0.089	3	125.6563	0.089	3	126.1340	0.972	4	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S)	C[6a](N[6a]C[5,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[5,6a]N[5,6a]S[5])(C[6a]C[6a]N[6a]){5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5,6a]S){4|C<3>}	126.4830	0.000	1	126.4830	0.000	1	126.4830	0.000	1	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N[6a]){1|O<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]C){1|O<2>,3|C<3>}	126.4810	0.000	1	126.4810	0.000	1	126.4595	0.237	6	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a]){1|H<1>,1|S<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]Cl)(C[6a]C[6a]N[6a]){1|S<2>,3|C<3>}	126.6520	0.000	1	126.6520	0.000	1	126.4595	0.237	6	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	126.1610	0.000	1	126.1610	0.000	1	126.4595	0.237	6	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,2|N<3>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,4|C<3>}	N[6a](C[6a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	126.8950	0.242	2	126.8950	0.058	2	126.4595	0.237	6	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]N[6a]){5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[5a,6a]O){4|C<3>}	125.6730	0.000	1	125.6730	0.000	1	126.4595	0.237	6	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6,6a]C){1|C<4>,3|C<3>}	125.6490	0.000	1	125.6490	0.000	1	125.6490	0.000	1	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	127.2270	0.000	1	127.2270	0.000	1	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|N<3>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	127.4200	0.000	1	126.5472	0.475	16	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	126.0220	1.267	2	126.5472	0.475	16	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<4>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	126.8580	0.000	1	126.5472	0.475	16	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|F<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	127.8350	0.000	1	126.5472	0.475	16	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	126.4180	0.476	11	126.5472	0.475	16	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	127.1700	0.000	1	126.5287	0.133	7	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]C){4|C<3>}	126.4218	0.253	6	126.5287	0.133	7	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|H<1>,2|I<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	127.7270	0.000	1	126.8397	0.844	4	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	126.5440	0.861	3	126.8397	0.844	4	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	129.5840	0.000	1	127.1933	1.129	8	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|C<4>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	126.7070	0.000	1	127.1933	1.129	8	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|F<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	126.8340	0.000	1	127.1933	1.129	8	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]N){4|C<3>}	126.8842	0.580	5	127.1933	1.129	8	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O){4|C<3>}	126.0517	0.245	3	126.0517	0.060	3	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]S){4|C<3>}	126.7300	0.000	1	126.7300	0.000	1	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|C<3>,2|N<2>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N[6a]){5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	127.1750	0.000	1	127.1750	0.000	1	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]N[6a]){5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){4|C<3>}	125.4140	0.000	1	125.4140	0.000	1	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]2)(N[6a]C[6a]){1|H<1>,4|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]H){2|C<3>,2|N<2>}	127.1940	0.000	1	127.1940	0.000	1	126.6804	0.589	43	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	126.7143	0.979	4	127.0940	0.922	6	127.0940	0.922	6	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	N[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]N[6a]){2|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<3>,5|C<3>}	N[6a](N[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	127.8535	0.083	2	127.0940	0.922	6	127.0940	0.922	6	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:3:2:	3:3:	3:3:	N[6a]-2:C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(N[6a]C[6a]){2|H<1>,5|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){6|C<3>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]N[6a]){6|C<3>}	125.5880	1.031	3	125.5880	1.063	3	125.5880	1.063	3	126.6245	0.652	60	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	2:4:2:	3:3:	3:3:	N[6a]-2:C[3]-4:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3])	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3])	C[6a](N[6a]C[6a,6a])(C[3]C[3]2H)(N[6a]C[6a]){2|C<3>,5|H<1>}	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]C[3]){1|H<1>,2|C<3>,2|C<4>}	126.1780	0.000	1	126.1780	0.000	1	126.1780	0.000	1	126.1780	0.000	1	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[5]C[5]S[5])(N[6a]N[6a])2	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a])	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a])	C[6a](C[5]C[5]S[5])(N[6a]N[6a])2{1|H<1>,1|S<2>,2|C<3>}	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]C[5])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|S<2>}	125.3930	0.000	1	125.3930	0.000	1	125.3930	0.000	1	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6]C[6]N[6])(N[6a]N[6a])2	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a])	C[6a](C[6]C[6]N[6])(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]C[6])(N[6a]C[6a]){1|N<2>,1|N<3>,2|C<3>}	125.8215	0.619	2	125.8215	0.383	2	125.8215	0.383	2	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|Br<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	124.4920	0.000	1	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|Cl<1>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	124.4850	0.000	1	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	124.1850	0.000	1	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|Br<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	124.9875	0.196	2	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	123.6097	0.459	3	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	123.8600	0.355	2	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	124.2388	0.398	4	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]N[6a])2{5|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	124.6840	0.330	3	124.2761	0.286	17	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	125.5910	0.000	1	124.5600	0.368	7	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	123.7470	0.000	1	124.5600	0.368	7	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|H<1>,2|N<2>}	124.9020	0.000	1	124.5600	0.368	7	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])2{1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){2|C<3>,2|N<2>}	124.4200	0.310	4	124.5600	0.368	7	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]N[6a]2)(N[6a]N[6a])2{3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,3|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,3|N<2>}	124.8400	0.000	1	124.8400	0.000	1	124.3781	0.308	25	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]N[6a])2{1|H<1>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|H<1>,1|N<2>,2|C<3>}	125.5780	0.000	1	125.5780	0.000	1	125.8018	0.623	9	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	125.7066	0.824	7	125.8298	0.703	8	125.8018	0.623	9	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:2:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<3>,2|N<2>}	126.6920	0.000	1	125.8298	0.703	8	125.8018	0.623	9	124.8299	0.796	37	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]N[6a]){3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	123.7370	0.035	2	123.7370	0.001	2	124.3797	1.240	3	124.7765	1.456	4	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|N<2>}	125.6650	0.000	1	125.6650	0.000	1	124.3797	1.240	3	124.7765	1.456	4	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:2:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:N[6a]-2:	C[6a]-3:N[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]N[6a])2{1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]H){1|C<3>,1|O<1>,2|N<2>}	125.9670	0.000	1	125.9670	0.000	1	125.9670	0.000	1	124.7765	1.456	4	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a])	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]N[6a]){2|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[5,6a]){1|N<2>,3|C<3>}	127.3703	0.453	3	127.3703	0.205	3	127.3703	0.205	3	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6,6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a])	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N[6a]){1|C<3>,2|N<2>,4|C<4>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6,6a]){1|C<4>,1|N<2>,2|C<3>}	125.5737	0.635	3	125.5737	0.403	3	125.5737	0.403	3	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	124.5320	0.000	1	124.0546	1.712	5	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	123.2430	0.000	1	124.0546	1.712	5	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	125.4090	0.000	1	124.0546	1.712	5	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|H<1>,3|C<3>}	122.2020	0.000	1	124.0546	1.712	5	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	124.8870	0.000	1	124.0546	1.712	5	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	124.8275	0.713	2	124.7427	0.276	3	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	124.5730	0.000	1	124.7427	0.276	3	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(N[6a]N[6a]){1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N[6]){1|N<2>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){4|C<3>}	125.5020	0.000	1	125.5020	0.000	1	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<5>,1|H<1>,3|C<3>}	N[6a](C[6a]C[3x3,4,3x5,14x6]C[6a])(C[6a]C[6a]N[6a]){2|C<3>,2|N<2>,4|B<6>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	124.2280	0.000	1	124.2280	0.000	1	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]N[6a]){1|O<2>,2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	125.3700	0.000	1	125.3700	0.000	1	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	125.4530	0.000	1	125.2917	0.029	4	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){2|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	125.2380	0.161	3	125.2917	0.029	4	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){1|C<4>,1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|C<4>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|C<4>,1|N<2>,2|C<3>}	124.8907	0.172	4	124.8907	0.029	4	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])(N[6a]N[6a]){2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){2|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(N[6a]C[6a]){1|N<2>,3|C<3>}	125.4560	0.000	1	125.4560	0.000	1	124.7893	0.681	20	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:2:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a])	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a])	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])(N[6a]N[6a]){1|N<2>,2|C<4>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(N[6a]C[6a]){1|C<4>,3|C<3>}	127.0190	0.000	1	127.0190	0.000	1	127.0190	0.000	1	125.2459	1.359	27	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](CC[5a]C[5])(N[6a]C[6a])2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C)	C[6a](CC[5a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]C){1|C<3>,1|H<1>}	126.0542	0.600	4	126.0542	0.360	4	126.0542	0.360	4	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl)	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{2|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl){1|S<2>,2|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]Cl){1|S<2>,2|C<3>}	125.0263	1.175	3	125.0263	1.380	3	125.5152	1.145	5	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C[5])2	C[6a](C[5]C[5]S[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	N[6a](C[6a]N[6a]C[5])(C[6a]N[6a]N){1|S<2>,2|C<3>}	N[6a](C[6a]N[6a]C[5])2{2|S<2>,3|C<3>}	126.2485	0.165	2	126.2485	0.027	2	125.5152	1.145	5	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[5,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a])	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a])	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[5,6a])(N[6a]C[6a]){3|C<3>,3|N<3>}	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[5a]N[6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[5,6a]N){1|C<4>,1|N<2>,2|C<3>}	127.8160	0.000	1	127.8160	0.000	1	127.8160	0.000	1	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	C[6a](C[5a]C[5a,6a]N[5a])(N[6a]C[6a])2{3|C<3>,3|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<2>,1|N<3>,2|C<3>}	127.8650	0.267	2	127.8650	0.071	2	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a]N[6a])2	C[6a](C[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[5a]N[6a])2{5|C<3>}	125.8155	0.158	2	125.8155	0.025	2	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|F<1>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]F){1|N<3>,2|C<3>}	123.4820	0.000	1	123.4820	0.000	1	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	127.0915	0.169	2	126.8697	0.162	3	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N)	C[6a](C[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]N[6a]N){1|N<3>,2|C<3>}	126.4260	0.000	1	126.8697	0.162	3	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S)	C[6a](C[5a]C[5a]O[5a])(N[6a]C[6a])2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]N){1|N<3>,1|O<2>,2|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]S){1|N<3>,1|O<2>,2|C<3>}	127.5680	0.000	1	127.5680	0.000	1	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a]C[5a]S[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	125.0540	0.000	1	125.0540	0.000	1	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H)	C[6a](C[5a]N[5a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[5a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	126.1695	0.359	2	126.1695	0.129	2	126.3678	1.634	12	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,3|C<3>}	126.2050	0.000	1	126.2050	0.000	1	126.3162	0.984	14	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]C[6])2	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]N[6a]N){1|N<3>,2|C<3>}	N[6a](C[6a]N[6a]C[6])2{2|N<3>,3|C<3>}	127.5683	0.368	4	127.5683	0.135	4	126.3162	0.984	14	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])2	N[6a](C[6a]N[6a]C[6])2	C[6a](C[6]C[6]N[6])(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]N[6a]C[6])2{2|N<3>,3|C<3>}	N[6a](C[6a]N[6a]C[6])2{2|N<3>,3|C<3>}	125.7721	0.656	9	125.7721	0.431	9	126.3162	0.984	14	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a])	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a,6a])(N[6a]C[6a]){1|H<1>,5|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a]){1|N<2>,5|C<3>}	126.1650	0.000	1	126.1650	0.000	1	126.1650	0.000	1	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]C[6a])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	125.7380	0.000	1	125.7380	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[5,6a]N[6a])(N[6a]C[6a])2{1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	127.2405	0.193	2	127.2405	0.037	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	125.4670	0.000	1	125.4670	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|N<3>,2|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	127.4520	0.000	1	127.4520	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,2|O<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	125.2780	0.000	1	125.2780	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a,6a]2)(N[6a]C[6a])2{1|N<2>,1|O<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	125.0580	0.236	2	125.0580	0.056	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	126.1050	0.223	2	126.1050	0.050	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|Cl<1>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	126.8890	0.000	1	126.8890	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{2|O<2>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	126.8760	0.000	1	126.8760	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a,6a]C[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	125.1344	2.516	10	125.1344	6.332	10	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	125.9460	0.000	1	125.5007	0.879	12	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	122.9920	0.000	1	125.5007	0.879	12	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	125.8086	0.647	7	125.5007	0.879	12	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|N<3>,5|C<3>}	125.4855	0.030	2	125.5007	0.879	12	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	125.4390	0.000	1	125.5007	0.879	12	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|Si<4>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|Si<4>,3|C<3>}	125.3795	0.426	2	125.3795	0.182	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	125.9765	0.432	2	125.9765	0.187	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	125.5200	0.537	2	126.1202	0.588	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	126.5890	0.000	1	126.1202	0.588	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){4|C<3>}	126.8520	0.000	1	126.1202	0.588	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	126.1735	0.363	2	126.0985	0.059	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	126.0235	0.155	2	126.0985	0.059	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>}	125.9755	0.186	2	125.3903	0.177	9	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	125.4180	0.000	1	125.3903	0.177	9	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.9775	0.210	2	125.3903	0.177	9	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	125.4915	0.339	2	125.3903	0.177	9	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	125.1030	0.105	2	125.3903	0.177	9	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<2>,3|C<3>}	126.2270	0.000	1	126.3087	0.074	7	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	126.3328	0.329	5	126.3087	0.074	7	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	126.2700	0.000	1	126.3087	0.074	7	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){1|C<4>,3|C<3>}	125.7200	0.087	3	125.6857	0.010	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|S<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]S){4|C<3>}	125.5830	0.000	1	125.6857	0.010	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3])	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C[3]){1|H<1>,3|C<3>,3|C<4>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]2){1|C<4>,5|C<3>}	125.2280	0.000	1	125.2280	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|H<1>,3|C<3>}	125.1270	0.000	1	125.1270	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<4>,3|C<3>}	126.1860	0.000	1	126.1860	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|B<6>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	126.6570	0.000	1	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	126.1620	0.000	1	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	126.4530	0.000	1	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|S<2>,3|C<3>}	125.9120	0.000	1	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|O<2>,3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	124.6290	0.000	1	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|Br<1>,3|C<3>}	125.0280	0.280	3	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	125.6081	0.351	10	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{3|C<3>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){4|C<3>}	125.5463	0.410	3	125.6008	0.290	21	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|H<1>,3|C<3>}	127.0190	0.000	1	127.0190	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|H<1>,3|C<3>}	125.6966	0.214	5	125.6966	0.046	5	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a]){1|N<2>,4|C<3>}	123.8370	0.000	1	123.8370	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,3|C<3>}	123.8100	0.000	1	123.8100	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5])	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5]){6|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	124.6555	0.377	4	124.6555	0.142	4	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){5|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	124.9425	0.120	2	124.9425	0.014	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{2|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	123.1280	0.000	1	123.1280	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<2>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	126.6935	0.033	2	126.0534	0.871	99	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	125.6633	0.872	3	126.0534	0.871	99	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	125.7428	0.258	4	126.0534	0.871	99	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	126.3485	0.138	2	126.0534	0.871	99	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|N<4>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	121.3400	0.000	1	126.0534	0.871	99	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|C<4>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	126.1840	0.983	15	126.0534	0.871	99	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	126.0991	0.801	72	126.0534	0.871	99	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]S){3|C<3>}	126.5810	0.000	1	126.5810	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	125.7237	0.189	3	125.7237	0.036	3	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|H<1>,2|O<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]O){3|C<3>}	125.1136	0.258	14	125.1136	0.067	14	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P)	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,1|P<4>,2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]P){3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	124.2525	0.234	2	124.2525	0.055	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	124.5395	0.545	6	124.8773	0.564	137	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	125.9470	0.000	1	124.8773	0.564	137	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|H<1>,1|N<2>,1|P<4>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	125.1130	0.206	3	124.8773	0.564	137	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	125.0870	0.000	1	124.8773	0.564	137	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]2)(N[6a]C[6a])2{1|N<2>,2|H<1>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	N[6a](C[6a]C[6a]N[6a])2{5|C<3>}	124.8776	0.764	126	124.8773	0.564	137	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6])	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[6]){1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{2|N<2>,3|C<3>}	124.7705	0.418	2	124.7705	0.175	2	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|C<3>,1|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	127.4050	0.000	1	126.7467	0.211	9	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	126.6644	0.414	8	126.7467	0.211	9	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{2|N<2>,3|C<3>}	124.8595	0.404	2	125.2522	0.106	23	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])2	N[6a](C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]N[6a])(N[6a]C[6a])2{1|H<1>,1|N<2>,4|C<3>}	N[6a](C[6a]C[6a]N[6a])2{2|N<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])2{2|N<2>,3|C<3>}	125.2896	0.303	21	125.2522	0.106	23	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|C<4>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]C){1|C<3>,1|H<1>,2|N<2>}	126.5107	0.428	3	126.5107	0.183	3	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|Cl<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]Cl){1|C<3>,1|O<2>,2|N<2>}	126.2500	0.000	1	126.2500	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	127.2420	0.000	1	126.6478	0.432	13	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{2|H<1>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<2>}	126.4472	0.698	9	126.6478	0.432	13	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	127.0517	0.193	3	126.6478	0.432	13	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<3>,1|O<2>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]N){1|C<3>,1|O<2>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O){1|C<3>,1|O<2>,2|N<2>}	127.6300	0.000	1	127.6300	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	C[6a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N)	C[6a](C[6a]N[6a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|C<3>,2|N<2>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]N){1|C<3>,2|N<2>}	127.7940	0.000	1	127.7940	0.000	1	125.5020	1.041	414	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](NC[6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N)	C[6a](NC[6a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	127.8490	0.000	1	127.8490	0.000	1	127.8490	0.000	1	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6]C[5])(N[6a]C[6a])2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	128.0820	0.000	1	128.0820	0.000	1	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|H<1>,3|C<3>}	128.6640	0.000	1	126.8261	0.518	11	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	126.5980	0.380	6	126.8261	0.518	11	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|O<2>,3|H<1>,4|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	127.2130	0.000	1	126.8261	0.518	11	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{2|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	126.5407	0.435	3	126.8261	0.518	11	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	N[6a](C[6a]N[6a]N[5])2	C[6a](N[5]C[5,6a]C[5])(N[6a]C[6a])2{1|H<1>,1|N<2>,2|C<3>,3|N<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[6a]N[5])2{5|C<3>}	129.2865	0.291	2	129.2865	0.084	2	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N[5])	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|H<1>,2|C<4>,4|C<3>}	N[6a](C[6a]C[5a]C[6a])(C[6a]N[6a]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	126.5800	0.000	1	126.5800	0.000	1	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,1|H<1>,5|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]2){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	127.7545	0.111	2	127.7545	0.012	2	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|N<2>}	127.0830	0.000	1	127.7693	0.480	3	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|O<1>,2|H<1>,3|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[6a]N[5])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	128.1125	0.503	2	127.7693	0.480	3	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C)	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N)	C[6a](N[5]C[5]N[5])(N[6a]C[6a])2{1|C<3>,1|N<2>,1|N<3>,4|C<4>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]C){1|C<3>,1|C<4>,1|N<2>}	N[6a](C[6a]N[6a]N[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|N<2>}	125.1790	0.117	2	125.1790	0.014	2	127.1590	1.304	22	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6]C[5a])(N[6a]C[6a])2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	128.9200	0.000	1	128.9200	0.000	1	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{7|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]2){1|H<1>,5|C<3>}	127.2877	0.161	3	127.2877	0.026	3	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.4152	0.870	6	127.2566	0.807	7	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>}	126.3050	0.000	1	127.2566	0.807	7	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|C<4>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]C){3|C<3>}	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	126.3450	0.085	2	126.3450	0.007	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{2|Cl<1>,1|N<2>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	124.2740	0.000	1	124.2740	0.000	1	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|Cl<1>,1|N<2>,1|N<3>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){3|C<3>}	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	125.3690	0.473	4	125.3690	0.224	4	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,2|N<3>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){3|C<3>}	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	126.7253	0.733	4	126.7253	0.538	4	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|O<2>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	126.3831	0.471	16	126.3831	0.222	16	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a,6a]2)(N[6a]C[6a])2{1|N<2>,1|N<3>,1|P<4>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]P){3|C<3>}	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	125.4970	0.610	2	125.4970	0.372	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.2390	0.369	3	127.3350	0.128	4	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a,6])(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.6230	0.000	1	127.3350	0.128	4	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|C<4>,2|H<1>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.3798	0.335	5	127.4379	0.734	24	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.0293	2.392	3	127.4379	0.734	24	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{1|S<2>,2|H<1>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	126.8570	0.000	1	127.4379	0.734	24	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{2|H<1>,5|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.5827	0.563	13	127.4379	0.734	24	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[6a]C[6a])2{3|H<1>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.5455	0.192	2	127.4379	0.734	24	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|N<2>,2|C<3>,2|C<4>,2|H<1>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,3|C<3>}	129.0215	0.105	2	129.0215	0.011	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|N<2>,4|H<1>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	129.1500	0.000	1	128.3680	1.223	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<4>,3|C<3>,3|H<1>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|H<1>,3|C<3>}	127.5860	0.000	1	128.3680	1.223	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|N<2>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	N[6a](C[6a]N[5a]N[6a])2{5|C<3>}	127.5467	0.141	6	127.5467	0.020	6	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a])	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[5a]N[6a]){1|N<2>,4|C<3>}	N[6a](C[6a]N[5a]N[6a])2{2|N<2>,3|C<3>}	128.1100	0.103	2	128.1100	0.011	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,2|C<3>}	129.9240	0.038	2	129.9240	0.001	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<3>,2|H<1>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	127.2840	0.000	1	128.3610	1.097	3	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{3|C<3>,3|H<1>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>}	128.8995	0.674	2	128.3610	1.097	3	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|H<1>,2|O<2>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]O){1|H<1>,1|N<2>,2|C<3>}	129.3660	0.440	2	129.3660	0.193	2	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl)	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N)	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]Cl){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]N){1|N<2>,2|C<3>}	127.9520	0.000	1	127.9520	0.000	1	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]H){1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])2{2|N<2>,3|C<3>}	127.1662	0.287	4	127.1662	0.082	4	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|O<1>,2|C<3>,3|N<3>}	N[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O){1|H<1>,1|N<2>,2|C<3>}	N[6a](C[6a]N[5a]N[6a])2{1|H<1>,2|N<2>,3|C<3>}	128.2850	0.000	1	128.2850	0.000	1	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[5a]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2	N[6a](C[6a]N[5a]N[6a])2	N[6a](C[6a]N[5a]N[6a])2	C[6a](N[5a]C[5a]N[5a])(N[6a]C[6a])2{1|C<4>,1|N<2>,2|C<3>,2|N<3>}	N[6a](C[6a]N[5a]N[6a])2{2|N<2>,3|C<3>}	N[6a](C[6a]N[5a]N[6a])2{2|N<2>,3|C<3>}	127.3353	0.252	3	127.3353	0.064	3	127.2369	1.255	96	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[6,6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6,6]C[6,6]2)(N[6a]C[6a])2	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H)	C[6a](N[6,6]C[6,6]2)(N[6a]C[6a])2{2|O<2>,3|C<3>,4|H<1>}	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]N[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	127.5380	0.000	1	127.5380	0.000	1	127.5380	0.000	1	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	N[6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[6]C[6,6a]2)(N[6a]C[6a])2	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O)	C[6a](N[6]C[6,6a]2)(N[6a]C[6a])2{1|N<2>,2|O<2>,4|C<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	N[6a](C[6a]N[6a]N[6])(C[6a]N[6a]O){3|C<3>}	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	3:2:2:	3:3:	3:3:	P[6,6]-3:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](P[6,6]C[3x6]2)(N[6a]C[6a])2	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H)	C[6a](P[6,6]C[3x6]2)(N[6a]C[6a])2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]P[6,6]N[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|C<4>}	125.8170	0.000	1	125.8170	0.000	1	125.8170	0.000	1	125.9122	1.575	573	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	4:2:2:	3:3:	3:3:	C[3]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[3]C[3]2H)(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3])	N[6a](C[6a]N[6a]C[3])2	C[6a](C[3]C[3]2H)(N[6a]C[6a])2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[3]){1|H<1>,2|C<4>,3|C<3>}	N[6a](C[6a]N[6a]C[3])2{1|C<3>,2|H<1>,4|C<4>}	125.1580	0.190	2	125.1580	0.036	2	125.1580	0.036	2	126.0776	0.553	11	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	4:2:2:	3:3:	3:3:	C[5]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5])	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5])	C[6a](C[5]C[5,6a]2C[6a])(N[6a]C[6a])2{1|N<2>,8|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5]){6|C<3>}	N[6a](C[6a]C[6a]N[6a])(C[6a]N[6a]C[5]){6|C<3>}	125.6875	0.179	2	125.6875	0.032	2	126.1243	0.233	8	126.0776	0.553	11	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	4:2:2:	3:3:	3:3:	C[5]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C)	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2{1|C<3>,2|H<1>,4|C<4>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]C){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	126.5550	0.176	4	126.5550	0.031	4	126.1243	0.233	8	126.0776	0.553	11	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	4:2:2:	3:3:	3:3:	C[5]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H)	C[6a](C[5]C[5]2Fe)(N[6a]C[6a])2{1|C<3>,2|C<4>,4|H<1>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	N[6a](C[6a]N[6a]C[5])(C[6a]C[6a]H){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	125.6995	0.149	2	125.6995	0.022	2	126.1243	0.233	8	126.0776	0.553	11	126.7998	3.808	4158	126.7568	4.236	4176
643	371	371	6:SP2_SP2_SP2	C[6a]	N[6a]	N[6a]	4:2:2:	3:3:	3:3:	C[6]-4:N[6a]-2:N[6a]-2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6]N[6]2H)(N[6a]C[6a])2	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C)	C[6a](C[6]N[6]2H)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|N<3>}	N[6a](C[6a]N[6a]C[6])(C[6a]C[6a]C){1|C<3>,2|H<1>,2|N<3>}	127.5440	0.000	1	127.5440	0.000	1	127.5440	0.000	1	126.0776	0.553	11	126.7998	3.808	4158	126.7568	4.236	4176