956	643	658	0:SP2_SP2_SP3	N	C[6a]	Si[6]	4:3:4:	3:3:3:	3:4:3:1:	Si[6]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	B[5a,6]-3:C[6]-4:N-3:H-1:	N(Si[6]B[5a,6]C[6]H)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[6]Si)	Si[6](B[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CC)(NC[6a]Si)(H)	N(Si[6]B[5a,6]C[6]H)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[6]Si){1|C<3>,2|H<1>}	Si[6](B[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]CC)(NC[6a]Si)(H){5|C<3>}	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1
956	643	670	0:SP2_SP2_SP2	N	C[6a]	Ge	3:3:4:	3:3:3:	3:4:1:	C[6a]-3:Ge-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Ge-4:H-1:	N(C[6a]C[6a]2)(GeGeH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Ge(NC[6a]Si)(GeHHN)(H)	N(C[6a]C[6a]2)(GeGeH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Ge(NC[6a]Si)(GeHHN)(H)	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1
956	643	679	0:SP2_SP2_SP3	N	C[6a]	B[5a]	4:3:1:	3:3:3:	3:3:4:3:	B[5a]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:N[5a,6]-3:C[5]-4:N-3:	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H)	N(B[5a]N[5a,6a]N[5a,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]C[6])(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	127.2050	0.000	1	127.2050	0.000	1	127.2050	0.000	1	128.4310	3.006	2	128.4310	3.006	2	128.4310	3.006	2
956	643	679	0:SP2_SP2_SP3	N	C[6a]	B[5a]	4:3:1:	3:3:3:	3:3:4:3:	B[5a]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H)	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	129.6570	0.000	1	129.6570	0.000	1	129.6570	0.000	1	128.4310	3.006	2	128.4310	3.006	2	128.4310	3.006	2
956	643	679	0:SP3_SP2_SP3	N	C[6a]	B[5a]	4:3:1:	3:3:3:	3:3:4:3:	B[5a]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H)	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H)	N(B[5a]N[5a,6a]2C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NB[5a]H){1|C<3>,2|H<1>}	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NC[6a]H){2|C<4>,4|C<3>,4|H<1>}	129.2850	0.000	1	129.2850	0.000	1	129.2850	0.000	1	129.2850	0.000	1	129.2850	0.000	1	129.2850	0.000	1
956	643	686	0:SP2_SP2_SPD5	N	C[6a]	Ge[4,5]	5:3:4:	3:3:3:	2:2:3:3:3:	Ge[4,5]-5:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NGe[4,5]C)	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NGe[4,5]C){1|C<3>,2|H<1>}	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1	126.4690	0.000	1
956	643	710	0:SP2_SP-NON_SP2	N	C[6a]	Ga	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:Ga-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]2)2(NGaSi)	Ga(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]2)2(NGaSi){2|H<1>,5|C<3>}	Ga(NC[6a]Si)	119.8180	0.000	1	119.8180	0.000	1	118.3583	2.656	3	118.3583	2.656	3	118.3583	2.656	3	118.3583	2.656	3
956	643	710	0:SP2_SP-NON_SP2	N	C[6a]	Ga	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:Ga-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi)	Ga(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi){1|C<3>,2|H<1>}	Ga(NC[6a]Si)	116.6000	0.000	1	116.6000	0.000	1	118.3583	2.656	3	118.3583	2.656	3	118.3583	2.656	3	118.3583	2.656	3
956	643	710	0:SP2_SP-NON_SP2	N	C[6a]	Ga	3:4:1:	3:3:3:	3:	C[6a]-3:Si-4:Ga-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi)	Ga(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi){1|C<3>,2|H<1>}	Ga(NC[6a]Si)	118.6570	0.000	1	118.6570	0.000	1	118.3583	2.656	3	118.3583	2.656	3	118.3583	2.656	3	118.3583	2.656	3
956	643	722	0:SP2_SP2_SPD5	N	C[6a]	Si[4,4]	5:3:3:	3:3:3:	2:2:3:3:3:	Si[4,4]-5:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2)	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NC[6a]2){1|C<3>,3|N<3>}	124.1750	0.897	2	124.1750	0.804	2	124.1750	0.804	2	124.1750	0.804	2	124.1750	0.804	2	125.4920	2.581	4
956	643	722	0:SP2_SP2_SPD5	N	C[6a]	Si[4]	5:3:3:	3:3:3:	3:3:3:1:1:	Si[4]-5:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:Cl-1:F-1:	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NSi[4]C)	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F)	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NSi[4]C){1|C<3>,2|H<1>}	Si[4](N[4]C[4]C)2(NC[6a]C)(Cl)(F){1|C<3>}	126.8090	0.000	2	126.8090	0.000	2	126.8090	0.000	2	126.8090	0.000	2	126.8090	0.000	2	125.4920	2.581	4
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	126.3710	0.000	1	126.3710	0.000	1	126.7510	0.289	2	126.7510	0.289	2	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	127.1310	0.000	1	127.1310	0.000	1	126.7510	0.289	2	126.7510	0.289	2	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>,1|N<3>}	129.9400	0.000	1	129.7530	0.070	2	127.4843	2.662	7	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|N<3>,1|S<4>}	129.5660	0.000	1	129.7530	0.070	2	127.4843	2.662	7	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NC[6a]H){1|C<3>,1|N<2>}	127.1060	0.000	1	127.0480	0.007	2	127.4843	2.662	7	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NC[6a]H){1|N<2>,1|N<3>}	126.9900	0.000	1	127.0480	0.007	2	127.4843	2.662	7	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NC[5a]H){2|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NC[6a]H)	125.9280	0.272	2	125.9280	0.074	2	127.4843	2.662	7	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H)	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NC[6a]H)	126.9320	0.000	1	126.9320	0.000	1	127.4843	2.662	7	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|C<3>,2|C<4>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H){2|C<3>}	127.2440	0.479	2	127.2440	0.230	2	127.2710	0.117	3	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]N[6a])2(NC[5a]H){1|C<3>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<2>}	127.3250	0.000	1	127.3250	0.000	1	127.2710	0.117	3	127.4203	1.812	10	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	2:2:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H)	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6a]H)	N(C[5a]C[5a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[5a]H){1|N<2>,2|F<1>}	C[5a](C[5a]C[6a]N[5a])(C[5a]C[5a]H)(NC[6a]H){2|H<1>,2|N<2>}	127.9460	0.000	1	127.9460	0.000	1	127.9460	0.000	1	127.9460	0.000	1	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){1|C<3>,1|N<2>}	128.5530	0.000	1	128.9473	0.655	3	128.8808	0.435	5	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(N[5a]N[5a,6a])(NC[6a]H){2|C<3>}	129.1445	1.037	2	128.9473	0.655	3	128.8808	0.435	5	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(N[5a]S[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(N[5a]S[5a])(NC[6a]H){1|N<3>}	128.7810	0.631	2	128.7810	0.398	2	128.8808	0.435	5	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|F<1>,1|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	124.3760	0.000	1	124.3760	0.000	1	126.0895	5.440	4	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|C<3>}	127.9090	1.748	2	126.6607	6.203	3	126.0895	5.440	4	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(O[5a]C[5a])(NC[6a]H){1|H<1>}	124.1640	0.000	1	126.6607	6.203	3	126.0895	5.440	4	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	123.6510	0.000	1	123.6510	0.000	1	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|C<4>}	122.3740	0.000	1	122.5047	0.230	3	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	122.5700	0.659	2	122.5047	0.230	3	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H){1|C<4>}	127.6530	0.000	1	127.6530	0.000	1	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){2|H<1>}	122.2320	0.000	1	122.2320	0.000	1	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H){1|N<3>}	122.5115	1.759	2	122.5115	3.093	2	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){2|H<1>}	125.5330	0.000	1	125.5330	0.000	1	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|C<4>}	127.3760	0.000	1	127.3760	0.000	1	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H){1|C<4>}	127.4910	0.000	1	127.4910	0.000	1	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	123.6880	0.000	1	123.6880	0.000	1	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	127.1202	1.331	6	127.1202	1.772	6	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|C<4>}	129.5834	0.460	5	128.4645	3.682	11	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<3>}	127.5393	0.588	3	128.4645	3.682	11	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){2|C<3>}	124.7280	0.000	1	128.4645	3.682	11	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]H){2|C<4>}	128.9235	3.474	2	128.4645	3.682	11	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|C<4>,1|H<1>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H){1|C<4>}	128.5620	0.000	1	126.4406	5.494	5	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H){1|C<4>}	128.6410	0.000	1	126.4406	5.494	5	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a])(S[5a]N[5a])(NC[6a]H){1|C<4>}	125.0000	1.790	3	126.4406	5.494	5	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H){1|C<3>}	129.9588	2.325	6	129.6337	2.801	19	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H){1|C<4>}	129.3720	1.519	3	129.6337	2.801	19	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H){1|N<3>}	127.9475	0.484	2	129.6337	2.801	19	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6a]H){1|N<3>}	129.9096	1.277	8	129.6337	2.801	19	127.5705	7.889	53	127.5806	7.305	62	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H){1|C<3>,1|H<1>}	127.5020	4.397	2	127.9875	6.133	6	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H){1|C<4>,1|H<1>}	129.8290	0.453	2	127.9875	6.133	6	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a])(NC[6a]H){1|C<3>,1|H<1>}	126.6315	0.443	2	127.9875	6.133	6	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]H)(N[5a]N[5a,6])(NC[6a]H){2|C<3>}	128.3920	0.573	2	128.3920	0.328	2	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(N[5a]N[5a,6a])(NC[6a]H){1|C<3>,1|N<2>}	128.0665	1.505	2	128.0665	2.266	2	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|H<1>,1|N<3>}	126.7670	0.000	1	126.7670	0.000	1	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a,6a]C)(N[5a]C[5a,6a])(NC[6a]H){2|C<3>}	130.0100	0.000	1	130.0100	0.000	1	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a]N[5a]C)(N[5a]N[5a])(NC[6a]H){1|H<1>}	128.4850	0.000	1	128.4850	0.000	1	128.1618	3.253	13	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	131.3685	0.435	2	131.3685	0.189	2	129.1798	7.651	12	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	127.8446	3.507	5	127.8446	12.297	5	129.1798	7.651	12	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NC[6a]H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NC[6a]H){1|C<3>,1|O<2>}	131.2040	0.000	1	131.2040	0.000	1	129.1798	7.651	12	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]H){1|C<3>,1|H<1>}	128.5270	0.000	1	128.5270	0.000	1	129.1798	7.651	12	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H){1|C<4>}	130.8710	0.136	2	129.4887	5.742	3	129.1798	7.651	12	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]N[5a])(NC[6a]H){1|H<1>}	126.7240	0.000	1	129.4887	5.742	3	129.1798	7.651	12	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(S[5a]C[5a,6])(NC[6a]H){2|C<4>}	123.5600	0.000	1	123.5600	0.000	1	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	116.6667	4.997	32	117.1339	31.389	33	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){2|C<4>}	132.0820	0.000	1	117.1339	31.389	33	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NC[6a]H){2|C<3>}	127.6827	0.466	3	127.6827	0.217	3	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<3>,1|C<4>}	130.7065	1.849	2	129.7486	5.571	5	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<3>}	130.1070	0.000	1	129.7486	5.571	5	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){2|C<3>}	128.6115	3.784	2	129.7486	5.571	5	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]Cl)(S[5a]S[5a])(NC[6a]H){1|O<1>}	126.1420	0.000	1	126.1420	0.000	1	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|C<4>}	C[5a](C[5a]C[5a]S)(S[5a]C[5a])(NC[6a]H){1|C<3>,1|N<2>}	124.3720	0.000	1	124.3720	0.000	1	119.8019	46.936	44	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	124.0220	0.000	1	124.0220	0.000	1	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	126.9770	0.000	1	126.9770	0.000	1	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	127.4620	0.000	1	127.4620	0.000	1	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	125.9790	0.000	1	125.9790	0.000	1	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NC[6a]H){1|N<2>,3|C<3>}	126.5020	0.000	1	126.5020	0.000	1	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6a]H){2|C<3>}	123.1880	0.000	1	123.1880	0.000	1	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6a]H){3|C<3>}	127.1230	0.000	2	127.1230	0.000	2	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NC[6a]H){2|C<3>}	126.2240	0.000	1	126.2240	0.000	1	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[5a]H)	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[6a]H)	N(C[5a]N[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NC[6a]H)	124.4775	0.913	2	124.4775	0.833	2	125.7777	2.266	11	123.3887	44.197	80	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:N-3:	N(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H)	N(C[5a]C[5a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a,6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	126.8870	0.000	1	126.8870	0.000	1	126.8870	0.000	1	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H){1|N<3>,2|H<1>,3|C<3>}	122.6240	0.000	1	122.6240	0.000	1	125.1968	9.538	12	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<3>,2|H<1>,3|C<3>}	123.4340	0.000	1	123.4340	0.000	1	125.1968	9.538	12	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]N[5a])(NC[6a]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	127.2210	0.000	1	127.2210	0.000	1	125.1968	9.538	12	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H){2|C<3>,2|H<1>}	120.0020	0.000	1	120.0020	0.000	1	125.1968	9.538	12	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C[5])(NC[6a]H){1|N<2>,2|H<1>,3|C<3>}	128.7415	0.138	2	128.7415	0.019	2	125.1968	9.538	12	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC[6a]H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	128.7965	1.090	2	128.7965	1.187	2	125.1968	9.538	12	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]H)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]H){1|H<1>,3|C<3>}	123.5012	0.345	4	123.5012	0.119	4	125.1968	9.538	12	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a,6]-3:N-3:	N(C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H)	N(C[5a]C[5a,6a]N[5a,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a,6]B[6])(NC[6a]H){1|N<3>,3|C<3>,3|F<1>}	126.3720	0.000	1	126.3720	0.000	1	126.3720	0.000	1	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N-3:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Co)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Co)(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	127.4650	0.151	4	127.4650	0.023	4	127.4089	0.733	8	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N-3:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	126.2895	0.254	2	127.3528	1.678	4	127.4089	0.733	8	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:N-3:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]H)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ni)(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	128.4160	0.669	2	127.3528	1.678	4	127.4089	0.733	8	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H)	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6]C)(C[5a]N[5a,6]C)(NC[6a]H){1|B<4>,1|C<3>}	122.1620	0.229	2	122.1620	0.052	2	123.4275	2.516	4	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(NC[6a]H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(NC[6a]H){1|H<1>}	123.9550	0.000	1	123.9550	0.000	1	123.4275	2.516	4	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]N)(C[5a]C[5a]O)(NC[6a]H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N)(C[5a]C[5a]O)(NC[6a]H){2|O<1>}	125.4310	0.000	1	125.4310	0.000	1	123.4275	2.516	4	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]C)(NC[6a]H){1|C<4>}	127.1600	0.000	1	127.1600	0.000	1	123.8178	6.312	4	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a]H)(NC[6a]H){1|H<1>,1|O<1>}	122.9590	1.911	2	122.9590	3.650	2	123.8178	6.312	4	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NC[6a]H){1|C<3>}	122.1930	0.000	1	122.1930	0.000	1	123.8178	6.312	4	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a,6]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H)	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]C[6])(C[5a]N[5a]H)(NC[6a]H){2|C<3>,2|H<1>}	116.6300	0.000	1	116.6300	0.000	1	122.6735	73.048	2	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a,6]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NC[6a]H)	N(C[5a]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NC[6a]H){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	128.7170	0.000	1	128.7170	0.000	1	122.6735	73.048	2	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	122.4850	0.000	1	122.4850	0.000	1	124.1710	5.685	2	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NC[6a]H){4|C<3>}	125.8570	0.000	1	125.8570	0.000	1	124.1710	5.685	2	125.2224	8.897	34	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:2:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:N-2:	C[6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:N-3:	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(NIr)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]N)	N(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]N[6a])(NIr)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]N){1|C<3>,1|C<4>,1|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a]Ir)(NC[6a]N){1|H<1>,1|N<2>,2|C<3>}	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|H<1>,1|O<2>}	117.0750	0.000	1	117.0750	0.000	1	117.2935	0.095	2	119.0425	12.112	4	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|H<1>,1|O<2>}	117.5120	0.000	1	117.5120	0.000	1	117.2935	0.095	2	119.0425	12.112	4	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]2)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]2){2|C<3>}	120.7915	4.900	2	120.7915	24.006	2	120.7915	24.006	2	119.0425	12.112	4	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]C)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(S[5a]C[5a])(NC[6a]C){1|N<2>,3|C<3>}	116.3960	0.000	1	116.3960	0.000	1	117.0930	0.972	2	119.3616	2.745	55	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C){1|Cl<1>,1|H<1>}	117.7900	0.000	1	117.7900	0.000	1	117.0930	0.972	2	119.3616	2.745	55	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]2){1|C<3>,1|H<1>}	119.7614	1.546	40	119.7614	2.390	40	119.5401	2.212	52	119.3616	2.745	55	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(NC[6a]2)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]N)(S[5a]C[5a])(NC[6a]2){2|N<3>}	119.0330	1.554	4	119.0330	2.416	4	119.5401	2.212	52	119.3616	2.745	55	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2){3|C<3>}	118.3822	0.270	6	118.3822	0.073	6	119.5401	2.212	52	119.3616	2.745	55	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6a]2)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6a]2){1|C<3>}	119.6020	0.974	2	119.6020	0.949	2	119.5401	2.212	52	119.3616	2.745	55	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C)	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[5a]C){1|H<1>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NC[6a]C){2|H<1>}	114.6170	0.000	1	114.6170	0.000	1	114.6170	0.000	1	119.3616	2.745	55	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]2)	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(NC[5a]C[6a])	N(C[5a]C[5a]2)2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5a]2){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]S[5a])(C[5a]C[5a]H)(NC[5a]C[6a]){1|I<1>,2|C<3>}	120.4665	1.757	2	120.4665	3.088	2	120.4665	3.088	2	118.7127	3.594	6	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C){3|C<3>}	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	118.7127	3.594	6	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|O<2>,4|C<3>}	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	118.7127	3.594	6	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]2)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6a]2){2|C<3>,2|H<1>}	118.2200	1.035	2	118.2200	1.072	2	118.2200	1.072	2	118.7127	3.594	6	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|H<1>,4|C<3>}	118.3580	0.724	2	118.3580	0.524	2	118.3580	0.524	2	118.3580	0.524	2	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	120.6470	0.000	1	120.6470	0.000	1	121.8385	3.344	4	121.8385	3.344	4	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	123.3090	1.107	2	122.2357	4.069	3	121.8385	3.344	4	121.8385	3.344	4	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	2:2:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	120.0890	0.000	1	122.2357	4.069	3	121.8385	3.344	4	121.8385	3.344	4	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	120.7940	0.000	1	120.7940	0.000	1	120.7940	0.000	1	118.2653	4.980	3	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NC[6a]S)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NC[6a]S){3|C<3>}	117.4300	0.000	1	117.4300	0.000	1	117.4300	0.000	1	118.2653	4.980	3	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NC[6a]S)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NC[6a]S){1|C<3>,1|C<4>}	116.5720	0.000	1	116.5720	0.000	1	116.5720	0.000	1	118.2653	4.980	3	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5,5a]-3:C[5a,6a]-3:N-3:	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]C)	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]C){1|H<1>,5|C<3>}	119.7530	0.000	1	119.7530	0.000	1	119.7530	0.000	1	119.3449	1.101	8	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	117.5440	0.000	1	117.5440	0.000	1	117.5440	0.000	1	119.3449	1.101	8	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,2|C<3>}	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	119.3449	1.101	8	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|H<1>,4|C<3>}	119.8415	1.214	2	119.8415	1.474	2	119.8415	1.474	2	119.3449	1.101	8	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:In-4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(InCl3)	C[6a](C[6a]C[6a]C)2(NC[5a]In)	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]In)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(InCl3)	C[6a](C[6a]C[6a]C)2(NC[5a]In){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a]C[5a,6a]N)(NC[6a]In){1|H<1>,3|C<3>}	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	119.3449	1.101	8	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[6a]S)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NC[6a]S){1|C<4>,3|C<3>}	120.2810	0.000	1	120.2810	0.000	1	120.1320	0.044	2	119.3449	1.101	8	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP2_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(NC[6a]S){4|C<3>}	119.9830	0.000	1	119.9830	0.000	1	120.1320	0.044	2	119.3449	1.101	8	123.5526	26.759	272	123.5526	26.759	272
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:2:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[5a]H){1|C<3>,2|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NC[6a]H){1|H<1>,2|C<3>}	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|H<1>,1|N<3>}	115.0570	0.000	1	121.5145	83.399	2	121.5145	83.399	2	114.0885	7.569	32	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){2|C<4>}	127.9720	0.000	1	121.5145	83.399	2	121.5145	83.399	2	114.0885	7.569	32	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H)	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NC[6a]H){1|C<4>,1|H<1>}	113.5934	1.076	30	113.5934	1.158	30	113.5934	1.158	30	114.0885	7.569	32	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a,6a]-3:C[5a,6a]-3:N-3:	N(C[5a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H)	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H)	N(C[5a]C[5a,6a,6a]C[5a,6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a,6a,6a]N[5a,6a,6a]B[3x6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]H){1|B<4>,1|H<1>,1|N<3>,4|C<3>}	122.9940	0.000	1	122.9940	0.000	1	122.9940	0.000	1	122.4515	0.589	2	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:1:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H)	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(NC[6a]H)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5a]H){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(C[5a]S[5a]P)(NC[6a]H){1|H<1>}	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	122.4515	0.589	2	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:3:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2)	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(S[5a]C[5a])(NC[6a]2){3|C<3>}	117.5015	0.163	2	117.5015	0.027	2	117.5015	0.027	2	117.5015	0.027	2	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:2:3:	C[5a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6a]S){2|C<3>,2|C<4>}	118.7830	0.341	2	118.7830	0.116	2	118.7830	0.116	2	118.7830	0.116	2	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[5a]C){1|C<3>,2|H<1>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	119.4020	0.000	1	119.4020	0.000	1	119.4020	0.000	1	118.8870	0.530	2	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:3:4:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6a]S)	N(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[5a]S){1|C<3>,2|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6a]S){1|C<3>,1|H<1>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	118.8870	0.530	2	115.2564	11.857	42	115.2564	11.857	42
956	643	727	0:SP3_SP2_SP2	N	C[6a]	C[5a]	3:4:3:	3:3:3:	3:3:2:	C[5a]-3:C[3x6]-4:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	C[5a]-3:N-3:S[5a]-2:	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[6a](NC[3x6]C[5a])(C[6a]C[6a]H)2	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a])	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[6a](NC[3x6]C[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a]){3|C<3>}	113.2830	0.000	1	113.2830	0.000	1	113.2830	0.000	1	113.2830	0.000	1	115.2564	11.857	42	115.2564	11.857	42
956	643	730	0:SP2_SP2_SP2	N	C[6a]	As	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:As-3:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	C[6a](C[6a]C[6a]H)2(NAsGe)	As(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(AsC[6a]2)(GeN)	C[6a](C[6a]C[6a]H)2(NAsGe){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(NC[6a]Ge)	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	113.7574	1.321	5	113.7574	1.321	5
956	643	730	0:SP2_SP2_SP2	N	C[6a]	As	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:As-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:As-2:	N(C[6a]C[6a]2)(AsAsN)(CCH)	C[6a](C[6a]C[6a]C)2(NAsC)	As(NC[6a]C)2(AsAs[6])	N(C[6a]C[6a]2)(AsAsN)(CCH)	C[6a](C[6a]C[6a]C)2(NAsC){1|C<3>,2|H<1>}	As(NC[6a]C)2(AsAs[6])	112.9115	0.548	2	112.9115	0.300	2	112.9115	0.300	2	112.9115	0.300	2	113.7574	1.321	5	113.7574	1.321	5
956	643	730	0:SP2_SP2_SP2	N	C[6a]	As	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[4]-3:As-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	C[6a](C[6a]C[6a]H)2(NGe[4]As)	As(C[6a]C[6a]2)2(NC[6a]Ge[4])	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	C[6a](C[6a]C[6a]H)2(NGe[4]As){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(NC[6a]Ge[4])	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	113.1300	0.000	1	113.7574	1.321	5	113.7574	1.321	5
956	643	730	0:SP2_SP2_SP2	N	C[6a]	As	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:As-3:In-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(AsC[6a]2)(InCl3)	C[6a](C[6a]C[6a]H)2(NAsIn)	As(C[6a]C[6a]2)2(NC[6a]In)	N(C[6a]C[6a]2)(AsC[6a]2)(InCl3)	C[6a](C[6a]C[6a]H)2(NAsIn){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)2(NC[6a]In)	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	113.7574	1.321	5	113.7574	1.321	5
956	643	730	0:SP2_SP2_SP3	N	C[6a]	As	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:As-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(AsCl2)(H)	C[6a](C[6a]C[6a]2)2(NAsH)	As(NC[6a]H)(Cl)2	N(C[6a]C[6a]2)(AsCl2)(H)	C[6a](C[6a]C[6a]2)2(NAsH){2|H<1>,5|C<3>}	As(NC[6a]H)(Cl)2	130.2170	0.000	1	130.2170	0.000	1	130.2170	0.000	1	130.2170	0.000	1	115.9733	125.217	6	115.9733	125.217	6
956	643	730	0:SP2_SP2_SP3	N	C[6a]	As	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:As-3:As-3:	C[6a]-3:N[6a]-2:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]N[6a])(AsCl2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2)	As(NC[6a]As)(Cl)2	N(C[6a]C[6a]N[6a])(AsCl2)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NAs2){1|C<3>,1|C<4>,1|H<1>}	As(NC[6a]As)(Cl)2	116.1685	18.644	2	116.1685	347.609	2	116.1685	347.609	2	116.1685	347.609	2	115.9733	125.217	6	115.9733	125.217	6
956	643	730	0:SP2_SP2_SP3	N	C[6a]	As	3:3:4:	3:3:3:	3:1:1:	C[6a]-3:As-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(AsCl2)(SiC3)	C[6a](C[6a]C[6a]2)2(NAsSi)	As(NC[6a]Si)(Cl)2	N(C[6a]C[6a]2)(AsCl2)(SiC3)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	As(NC[6a]Si)(Cl)2	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	115.9733	125.217	6	115.9733	125.217	6
956	643	730	0:SP2_SP2_SP3	N	C[6a]	As	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:Si-4:As-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:Cl-1:	N(C[6a]C[6a]2)(SiCCN)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi)	As(NC[6a]Si)(CH3)(Cl)	N(C[6a]C[6a]2)(SiCCN)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	As(NC[6a]Si)(CH3)(Cl)	112.4690	0.000	1	112.4690	0.000	1	111.8420	0.786	2	111.8420	0.786	2	115.9733	125.217	6	115.9733	125.217	6
956	643	730	0:SP2_SP2_SP3	N	C[6a]	As	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:Si-4:As-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:Cl-1:	N(C[6a]C[6a]2)(SiCCO)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi)	As(NC[6a]Si)(CH3)(Cl)	N(C[6a]C[6a]2)(SiCCO)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	As(NC[6a]Si)(CH3)(Cl)	111.2150	0.000	1	111.2150	0.000	1	111.8420	0.786	2	111.8420	0.786	2	115.9733	125.217	6	115.9733	125.217	6
956	643	742	0:SP2_SP2_SP3	N	C[6a]	B[4]	4:3:1:	3:3:3:	3:3:3:3:	B[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[4]-3:N[4]-3:N-3:	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[4]H)	B[4](C[6a]C[6a]2)(N[4]C[4]C)2(NC[6a]H)	N(B[4]C[6a]N[4]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NB[4]H){1|C<3>,2|H<1>}	B[4](C[6a]C[6a]2)(N[4]C[4]C)2(NC[6a]H){1|C<4>,2|C<3>,2|H<1>}	128.2640	0.000	1	128.2640	0.000	1	128.2640	0.000	1	128.2640	0.000	1	128.2640	0.000	1	128.2640	0.000	1
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	2:2:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N(C[6a]N[6a]2)(C[6]N[6]2)(H)	C[6a](N[6a]C[6a])2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	128.5650	0.000	1	128.5650	0.000	1	128.5650	0.000	1	128.5650	0.000	1	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6,6a]-3:N[6]-2:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]N[6a])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6,6])(NC[6a]H){1|B<4>,1|H<1>,3|C<3>}	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1	128.7490	0.000	1	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	130.4630	0.000	1	130.4630	0.000	1	129.9336	17.076	24	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	127.6990	0.000	1	129.8099	19.212	21	129.9336	17.076	24	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	130.8190	0.000	1	129.8099	19.212	21	129.9336	17.076	24	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	129.8679	4.587	19	129.8099	19.212	21	129.9336	17.076	24	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H){1|C<3>,2|H<1>}	129.2720	0.000	1	129.2720	0.000	1	129.9336	17.076	24	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H){1|C<3>,2|H<1>}	132.6640	0.000	1	132.6640	0.000	1	129.9336	17.076	24	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	131.4050	2.222	2	131.4050	4.936	2	131.4420	1.955	4	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	132.1580	0.000	1	132.1580	0.000	1	131.4420	1.955	4	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H){2|H<1>,3|C<3>}	130.8000	0.000	1	130.8000	0.000	1	131.4420	1.955	4	130.1491	15.052	28	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[6]-2:N[6]-2:N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]H){2|H<1>,3|C<4>}	127.1600	0.187	4	127.1600	0.035	4	127.1600	0.035	4	128.9274	2.176	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|H<1>,2|N<3>}	129.0702	0.536	6	129.4466	1.134	8	129.6343	1.187	10	128.9274	2.176	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6])2(NC[6a]H){1|C<3>,1|N<3>,1|N<4>}	129.3310	0.000	1	129.4466	1.134	8	129.6343	1.187	10	128.9274	2.176	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6])2(NC[6a]H){3|N<3>}	131.8210	0.000	1	129.4466	1.134	8	129.6343	1.187	10	128.9274	2.176	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	C[6](N[6]C[6])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6])2(NC[6a]H){1|N<2>,1|N<3>}	130.3850	1.158	2	130.3850	1.342	2	129.6343	1.187	10	128.9274	2.176	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]O[6]N)(NC[6a]H){2|C<3>}	130.4470	0.000	1	130.4470	0.000	1	130.4470	0.000	1	128.3540	9.223	5	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]C)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	129.3603	1.293	3	129.3603	1.671	3	129.3603	1.671	3	128.3540	9.223	5	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[6]-2:C[6]-3:N-3:	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	123.2420	0.000	1	123.2420	0.000	1	123.2420	0.000	1	128.3540	9.223	5	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-2:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	124.4460	0.000	1	124.4460	0.000	1	127.4360	6.136	10	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-2:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	127.4593	2.862	6	127.7682	5.661	9	127.4360	6.136	10	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-2:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	128.0945	1.450	2	127.7682	5.661	9	127.4360	6.136	10	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-2:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	128.9690	0.000	1	127.7682	5.661	9	127.4360	6.136	10	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	131.4540	0.000	1	131.4540	0.000	1	131.5370	0.014	2	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,2|N<3>}	131.6200	0.000	1	131.6200	0.000	1	131.5370	0.014	2	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H)	N(C[6]C[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(O[6]C[6])(NC[6a]H){1|N<2>,2|C<3>}	124.9860	0.783	2	124.9860	0.614	2	124.9860	0.614	2	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:S[6]-2:N-3:	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	N(C[6]C[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	126.4160	0.000	1	126.4160	0.000	1	126.4160	0.000	1	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:O[6]-2:N-3:	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H)	N(C[6]N[6]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|C<4>}	C[6](N[6]C[6,6a]H)(O[6]B[6])(NC[6a]H){2|C<3>,2|F<1>}	130.1970	0.000	1	130.1970	0.000	1	130.1970	0.000	1	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:S[6]-2:N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(S[6]C[6])(NC[6a]H){1|C<4>,4|H<1>}	123.3273	0.866	3	123.3273	0.750	3	123.3273	0.750	3	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(NC[6a]H){5|C<3>}	128.5820	0.000	1	128.5820	0.000	1	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](N[6]C[5,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	131.0430	0.000	1	131.0430	0.000	1	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<3>,2|C<4>}	129.6865	1.295	2	129.4872	1.295	5	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	130.4450	0.000	1	129.4872	1.295	5	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)(N[6]C[6])(NC[6a]H){1|N<2>,2|N<3>}	128.8090	1.260	2	129.4872	1.295	5	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Ni)(N[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(N[6]C[6])(NC[6a]H){1|C<3>,2|N<3>}	130.9780	0.000	1	130.9780	0.000	1	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6a]C[6])(N[6]C[5a,6])(NC[6a]H){1|N<3>,2|C<3>,2|N<2>}	127.3830	0.000	1	127.3830	0.000	1	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(NC[6]H)	C[6](N[6]C[6]Ir)(N[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]C)(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(N[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	127.7874	0.810	5	127.7874	0.657	5	128.8828	2.079	14	127.8291	6.673	33	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6]-3:C[5a,6]-3:N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	124.2180	0.000	2	124.2180	0.000	2	126.1915	3.016	10	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6]-3:C[5a,6]-3:N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	124.7035	0.964	2	126.6849	2.487	8	126.1915	3.016	10	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6]-3:C[5a,6]-3:N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	127.5415	1.360	4	126.6849	2.487	8	126.1915	3.016	10	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a,6]-3:C[5a,6]-3:N-3:	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	126.9530	0.031	2	126.6849	2.487	8	126.1915	3.016	10	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6,6]-3:N-3:	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	N(C[6]C[6,6a]C[6,6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	129.6260	0.000	1	129.6260	0.000	1	129.6260	0.000	1	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	130.1830	0.000	1	130.1830	0.000	1	125.9206	9.833	5	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3390	0.000	1	122.3390	0.000	1	125.9206	9.833	5	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	128.0120	0.000	1	128.0120	0.000	1	125.9206	9.833	5	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	124.5345	0.343	2	124.5345	0.118	2	125.9206	9.833	5	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	125.7790	0.000	1	125.7790	0.000	1	125.5695	0.088	2	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	125.3600	0.000	1	125.3600	0.000	1	125.5695	0.088	2	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	123.0220	0.000	1	123.0220	0.000	1	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	122.8560	0.000	1	122.8560	0.000	1	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	124.5640	0.000	1	124.5640	0.000	1	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]C)(N[6]C[6]H)(NC[6a]H){4|C<3>}	126.9180	0.000	1	126.9180	0.000	1	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	125.8710	0.000	1	125.5740	2.864	4	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	126.3100	2.072	2	125.5740	2.864	4	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.8050	0.000	1	125.5740	2.864	4	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H){1|C<3>,2|H<1>}	125.5810	0.000	1	125.5810	0.000	1	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	124.1360	0.000	1	125.4238	2.383	6	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	125.6814	1.575	5	125.4238	2.383	6	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]P[6]P)(N[6]B[6]H)(NC[6a]H){1|N<3>,4|C<3>}	128.4950	0.000	1	128.4950	0.000	1	125.3922	3.025	16	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	127.4505	0.446	2	127.9951	5.708	10	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	127.8090	0.000	1	127.9951	5.708	10	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	128.7317	2.735	6	127.9951	5.708	10	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	124.8510	0.000	1	127.9951	5.708	10	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	126.3870	0.000	1	126.3870	0.000	1	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	125.4935	2.448	12	125.4935	5.992	12	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	128.2275	1.746	2	128.2275	3.048	2	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NC[6]H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	126.0300	0.000	1	126.0300	0.000	1	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6]H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	129.7643	1.852	4	129.7643	3.431	4	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NC[6]H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	133.6050	0.000	1	133.6050	0.000	1	127.3357	8.093	31	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H){1|O<1>,2|C<3>}	129.1490	0.000	1	129.1490	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|O<1>,2|C<3>}	121.3040	0.000	1	121.3040	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	123.9650	0.000	1	123.9650	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	122.1360	0.000	1	122.1360	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	125.9140	0.000	1	125.9140	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	127.4350	0.000	1	127.4350	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H){2|Br<1>,1|C<4>,1|N<3>}	125.3730	0.000	1	125.3730	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6](C[6]C[6]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	126.1780	0.617	2	126.1780	0.380	2	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	127.4630	0.000	1	127.4630	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H){2|C<4>,3|H<1>}	131.9507	1.046	4	131.9507	1.094	4	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	127.2400	0.000	1	127.2400	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	128.2685	1.404	2	128.2685	1.970	2	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H){1|O<1>,2|C<3>}	129.7590	0.000	1	129.7590	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|N<2>,2|C<3>}	127.7310	0.000	1	128.1885	0.419	2	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|O<1>,2|C<3>}	128.6460	0.000	1	128.1885	0.419	2	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	127.4040	0.501	3	127.4040	0.251	3	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	130.7670	0.000	1	130.7670	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	126.1770	0.000	1	126.1770	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	124.8385	1.717	4	124.8385	2.947	4	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	128.7460	1.621	2	128.7460	2.627	2	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H){1|C<3>}	130.4050	0.000	1	130.4050	0.000	1	127.4756	8.058	32	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	124.5250	0.000	1	124.9740	3.422	3	124.9740	3.422	3	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|S<2>}	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	123.3900	0.000	1	124.9740	3.422	3	124.9740	3.422	3	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](N[6]C[6]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6]N[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](N[6]C[6]H)2(NC[6a]H){1|C<4>,1|H<1>,2|C<3>}	127.0070	0.000	1	124.9740	3.422	3	124.9740	3.422	3	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)2(NC[6]O)	C[6](C[6]C[6]H)2(NC[6a]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)2(NC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]O){1|N<3>,2|H<1>}	120.5387	0.784	4	120.5387	0.614	4	122.9265	4.529	11	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O)	C[6](C[6]C[6]H)2(NC[6a]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]O){1|N<3>,2|H<1>}	124.4547	1.139	6	124.2909	1.268	7	122.9265	4.529	11	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O)	C[6](C[6]C[6]H)2(NC[6a]O)	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]O){2|Br<1>,1|C<3>}	123.3080	0.000	1	124.2909	1.268	7	122.9265	4.529	11	126.4171	8.084	111	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-4:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	128.2110	0.000	1	128.0043	9.556	4	128.0043	9.556	4	128.0043	9.556	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-4:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	132.2620	0.000	1	128.0043	9.556	4	128.0043	9.556	4	128.0043	9.556	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-4:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	125.7720	0.728	2	128.0043	9.556	4	128.0043	9.556	4	128.0043	9.556	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	130.4500	0.000	1	130.4500	0.000	1	126.5960	29.707	2	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	122.7420	0.000	1	122.7420	0.000	1	126.5960	29.707	2	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	129.4780	0.000	1	129.4780	0.000	1	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	126.9690	0.000	1	127.9323	7.420	3	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	125.8210	0.000	1	127.9323	7.420	3	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	131.0070	0.000	1	127.9323	7.420	3	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	131.1635	0.637	2	131.1635	0.406	2	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,4|H<1>}	124.5393	0.626	3	124.5393	0.391	3	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H){1|Cl<1>,1|C<4>,1|N<3>}	126.0280	0.000	1	126.0280	0.000	1	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	125.7455	0.848	4	125.7455	0.719	4	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	132.3715	0.354	2	132.3715	0.126	2	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	125.5290	0.088	2	125.5290	0.008	2	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	127.0110	0.000	1	127.0110	0.000	1	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	126.9824	2.129	10	127.1855	3.050	15	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	127.5918	0.413	5	127.1855	3.050	15	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	130.1685	0.706	2	127.0271	3.268	10	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	126.6740	1.219	2	127.0271	3.268	10	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	127.1710	0.000	1	127.0271	3.268	10	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	125.8830	0.468	5	127.0271	3.268	10	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H){1|O<1>,3|C<4>}	127.7460	0.000	1	127.7460	0.000	1	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H){1|O<1>,3|C<4>}	128.5700	0.000	1	128.5700	0.000	1	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H){1|O<1>,3|C<4>}	128.5160	1.690	2	128.5160	2.856	2	127.3426	4.822	48	127.3127	5.254	50	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	2:2:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	120.2939	2.680	8	120.2939	7.183	8	120.6859	3.003	54	120.6859	3.003	54	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	2:2:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	121.1754	0.899	12	120.7216	2.414	44	120.6859	3.003	54	120.6859	3.003	54	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	2:2:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	120.4247	1.946	20	120.7216	2.414	44	120.6859	3.003	54	120.6859	3.003	54	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	2:2:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|O<2>}	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	120.7627	1.303	12	120.7216	2.414	44	120.6859	3.003	54	120.6859	3.003	54	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	2:2:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6]2){1|N<2>,2|C<3>}	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	121.4685	1.603	2	121.4685	2.570	2	120.6859	3.003	54	120.6859	3.003	54	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	119.6945	6.584	2	119.6945	43.347	2	120.4289	15.637	10	120.4289	15.637	10	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	119.7970	6.692	2	119.7970	44.784	2	120.4289	15.637	10	120.4289	15.637	10	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	120.7728	3.313	4	120.7728	10.977	4	120.4289	15.637	10	120.4289	15.637	10	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	121.1075	4.050	2	121.1075	16.399	2	120.4289	15.637	10	120.4289	15.637	10	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	125.7120	0.000	1	125.7120	0.000	1	125.7120	0.000	1	122.3850	8.627	3	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	N[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	120.7215	0.807	2	120.7215	0.651	2	120.7215	0.651	2	122.3850	8.627	3	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:	N(C[6a]C[6a]2)2(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](N[6]C[6])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6])2(NC[6a]2){1|O<2>,2|N<3>}	121.0500	0.102	2	121.0500	0.010	2	121.0500	0.010	2	120.5255	0.926	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	O[6]-2:O[6]-2:N-3:	N(C[6a]C[6a]2)2(C[6]O[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2)	N(C[6a]C[6a]2)2(C[6]O[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](O[6]B[6])(O[6]C[6])(NC[6a]2){1|C<4>,3|C<3>}	120.0010	1.291	2	120.0010	1.667	2	120.0010	1.667	2	120.5255	0.926	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6]2){1|H<1>,2|C<3>}	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	118.9253	3.191	4	118.9253	10.182	4	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NC[6]2){1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	121.5250	3.946	4	121.5250	15.574	4	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Os)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,2|C<3>}	113.7720	0.602	2	113.7720	0.363	2	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	114.1620	0.271	4	114.1620	0.073	4	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	117.7235	3.335	4	114.6675	4.566	20	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	113.9034	0.667	16	114.6675	4.566	20	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,1|H<1>,1|O<2>}	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	115.8155	0.791	2	116.5785	0.689	6	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	116.9600	0.598	4	116.5785	0.689	6	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	N(C[6]C[6]N[6])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	116.5542	3.247	4	116.5542	10.546	4	116.0234	9.725	44	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CRhO)	C[6a](C[6a]C[6a]C)2(NC[6]C)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CRhO)	C[6a](C[6a]C[6a]C)2(NC[6]C){1|C<3>,2|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]C){1|H<1>,2|C<3>}	120.8940	0.000	1	120.8940	0.000	1	120.8940	0.000	1	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	118.0790	0.000	1	118.0790	0.000	1	122.0366	42.167	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	115.5230	0.000	1	115.4400	0.100	4	122.0366	42.167	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	115.4123	0.382	3	115.4400	0.100	4	122.0366	42.167	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|H<1>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	126.3560	0.000	1	126.3560	0.000	1	122.0366	42.167	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	128.8293	0.509	3	128.5428	0.501	4	122.0366	42.167	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|H<1>,2|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	127.6830	0.000	1	128.5428	0.501	4	122.0366	42.167	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,1|H<1>,1|N<3>}	122.3945	0.141	2	121.1848	1.721	6	121.1994	1.434	12	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	120.5800	1.183	4	121.1848	1.721	6	121.1994	1.434	12	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]N)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NZnC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	121.2140	1.197	6	121.2140	1.433	6	121.1994	1.434	12	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C){1|O<1>,2|C<3>}	117.4510	0.000	1	117.4510	0.000	1	117.7610	0.192	2	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	118.0710	0.000	1	118.0710	0.000	1	117.7610	0.192	2	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C[6]-3:C[6]-3:	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](NC[6a]C[6])(C[6]C[6]H)2	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](NC[6a]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	118.1500	2.117	2	118.1500	4.482	2	118.1500	4.482	2	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	116.8800	0.000	1	116.8800	0.000	1	116.8800	0.000	1	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6a]C[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6a]C[6]){1|C<3>,2|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	117.5365	0.363	2	117.5365	0.132	2	117.5365	0.132	2	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	120.9795	0.337	2	120.9795	0.114	2	120.6619	2.571	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](C[6]C[6]H)2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]2){1|Ag<5>,1|C<3>,2|H<1>}	119.7870	3.875	2	120.5825	3.254	8	120.6619	2.571	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](C[6]C[6]H)2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	120.8477	1.102	6	120.5825	3.254	8	120.6619	2.571	10	118.2271	16.576	84	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	N(C[6a]C[6a]2)(C[6]C[6]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	117.4540	0.000	1	117.4540	0.000	1	117.4540	0.000	1	119.1003	3.281	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:C[6]-3:	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(NC[6]2)	C[6](C[6]C[6]OW)(NC[6a]C[6])(C[6]C[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2)2	C[6a](C[6a]C[6a]H)2(NC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]OW)(NC[6a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>}	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	119.1003	3.281	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6])	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2){1|C<3>,1|H<1>}	117.6620	0.000	1	117.6620	0.000	1	119.3480	5.685	2	119.1003	3.281	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2)	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2){1|C<3>,1|H<1>}	121.0340	0.000	1	121.0340	0.000	1	119.3480	5.685	2	119.1003	3.281	4	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	124.4740	0.000	1	124.4740	0.000	1	124.1985	0.152	2	122.0803	13.536	3	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	123.9230	0.000	1	123.9230	0.000	1	124.1985	0.152	2	122.0803	13.536	3	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[3]-4:	C[6a]-3:N[6a]-2:N-3:	N-3:C[6]-3:N[6]-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6])	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[3]C[6]){1|C<3>,2|H<1>}	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	122.0803	13.536	3	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:S[6]-2:N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C){1|N<3>,1|S<1>,2|C<4>}	121.6990	0.597	2	121.6990	0.356	2	121.6990	0.356	2	120.7173	3.069	3	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	2:2:3:	C[6]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	S[6]-2:N[6]-2:N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[6]S)	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[6]S){1|C<3>,2|H<1>}	C[6](S[6]C[6,6])(N[6]C[6])(NC[6a]S){1|C<3>,2|C<4>,2|H<1>}	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	120.7173	3.069	3	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C){1|C<4>,1|H<1>,1|N<3>}	119.3110	0.000	1	119.3110	0.000	1	119.3110	0.000	1	119.3110	0.000	1	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C[6]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C[6]-2:	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(NC[6]Si)	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(NC[6]Si){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(NC[6a]Si)(C[6]C[6]){1|C<2>,1|H<1>}	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C){1|H<1>,3|C<3>}	120.1240	0.000	1	120.1240	0.000	1	120.4230	1.302	3	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	120.5725	1.572	2	120.5725	2.471	2	120.4230	1.302	3	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6]C)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C){1|H<1>,2|C<3>}	123.6430	0.942	2	123.6430	0.887	2	121.4080	9.994	5	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C){1|C<2>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.2870	0.000	1	119.2870	0.000	1	121.4080	9.994	5	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	120.2335	4.673	2	120.2335	21.839	2	121.4080	9.994	5	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(PCCW)	C[6a](C[6a]C[6a]H)2(NC[6]P)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]P)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(PCCW)	C[6a](C[6a]C[6a]H)2(NC[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]P){1|C<3>,1|H<1>,1|N<3>}	119.0940	0.775	2	119.0940	0.601	2	119.0940	0.601	2	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	122.4355	0.554	2	122.4355	0.307	2	122.4355	0.307	2	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6]S)	C[6](C[6]C[6]H)2(NC[6a]S)	N(C[6a]C[6a]2)(C[6]C[6]2)(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6]S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6a]S){1|C<3>,1|H<1>,1|O<2>}	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6a](C[6a]C[6a]C)2(NC[6]Si)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si)	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6a](C[6a]C[6a]C)2(NC[6]Si){1|C<3>,2|H<1>}	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si){2|Br<1>,1|C<4>,1|N<3>}	113.5050	0.000	1	113.5050	0.000	1	113.5050	0.000	1	120.1764	8.844	14	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	4:2:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N[6]-2:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	121.8120	0.000	1	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP2_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	4:3:3:	C[6a]-3:C[6]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]P)	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P)	N(C[6a]C[6a]2)(C[6]C[6]2)(PRuCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P){1|C<3>,2|H<1>}	112.8655	0.054	2	112.8655	0.003	2	112.8655	0.003	2	112.8655	0.003	2	124.0092	26.188	431	124.0092	26.188	431
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-2:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a,6a]F)(C[6a]C[6a]F)(NC[6]H){1|C<3>,1|F<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	124.3520	0.000	1	124.3520	0.000	1	124.3520	0.000	1	124.3520	0.000	1	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NC[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	126.5100	0.000	1	126.5100	0.000	1	123.8040	14.645	2	123.8040	14.645	2	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[6]C[6]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	121.0980	0.000	1	121.0980	0.000	1	123.8040	14.645	2	123.8040	14.645	2	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	113.9735	1.914	2	113.9735	3.664	2	113.9077	1.896	4	113.9077	1.896	4	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N[6]-3:C[6]-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2)	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]2){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	113.8420	1.417	2	113.8420	2.008	2	113.9077	1.896	4	113.9077	1.896	4	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2){2|H<1>,3|C<3>}	117.6230	0.000	1	117.6230	0.000	1	117.3505	0.149	2	118.7414	2.542	7	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2)	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Pt)(NC[6a]2){2|H<1>,3|C<3>}	117.0780	0.000	1	117.0780	0.000	1	117.3505	0.149	2	118.7414	2.542	7	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]N)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NCuC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	119.2435	0.561	2	119.2435	0.314	2	119.2978	2.422	5	118.7414	2.542	7	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NFeC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	118.3590	1.913	2	118.3590	3.661	2	119.2978	2.422	5	118.7414	2.542	7	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	C[6a](C[6a]C[6a]H)2(NC[6]N)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]N)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(NPdC)	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	121.2840	0.000	1	121.2840	0.000	1	119.2978	2.422	5	118.7414	2.542	7	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Cu)(C[6a]C[6a]H)(NC[6]C){1|C<2>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	120.4390	0.000	1	120.4390	0.000	1	119.3244	2.375	5	119.3244	2.375	5	118.7054	12.387	19	118.7054	12.387	19
956	643	762	0:SP3_SP2_SP2	N	C[6a]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]Ni)(C[6a]C[6a]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.0457	1.627	4	119.0457	2.648	4	119.3244	2.375	5	119.3244	2.375	5	118.7054	12.387	19	118.7054	12.387	19
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:1:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[4a]H){1|C<3>,2|H<1>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H){1|O<1>}	127.8235	1.443	2	127.8235	2.083	2	128.2311	0.881	27	128.1972	0.827	36	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:1:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|C<4>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H){1|O<1>}	127.7467	0.623	6	128.1402	0.728	23	128.2311	0.881	27	128.1972	0.827	36	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:1:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H){1|O<1>}	128.2791	0.895	17	128.1402	0.728	23	128.2311	0.881	27	128.1972	0.827	36	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:1:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H)	C[4a](C[4a]C[4a]O)2(NC[6a]H)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[4a]H){1|C<3>,2|H<1>}	C[4a](C[4a]C[4a]O)2(NC[6a]H){1|O<1>}	129.6840	0.247	2	129.6840	0.061	2	128.2311	0.881	27	128.1972	0.827	36	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[4a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H){2|H<1>,3|C<3>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H){1|O<1>}	128.2627	0.794	7	128.2627	0.631	7	128.2627	0.631	7	128.1972	0.827	36	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[4a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[4a]H){1|H<1>,3|C<3>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]H){1|O<1>}	127.5110	1.120	2	127.5110	1.255	2	127.5110	1.255	2	128.1972	0.827	36	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:3:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a])	C[4a](C[4a]C[4a]O)2(NC[6a]2)	N(C[4a]C[4a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a]){1|C<3>,2|H<1>}	C[4a](C[4a]C[4a]O)2(NC[6a]2){1|O<2>}	120.6015	0.889	2	120.6015	0.790	2	120.6015	0.790	2	120.6015	0.790	2	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:4:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]C)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|C<3>,2|H<1>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]C){1|O<1>}	121.5493	1.267	4	120.9027	1.991	6	120.9027	1.991	6	120.9027	1.991	6	126.8573	9.194	44	126.8573	9.194	44
956	643	769	0:SP2_SP2_SP2	N	C[6a]	C[4a]	3:3:4:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]C)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[4a]C){1|H<1>,2|C<3>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]C){1|O<1>}	119.6095	0.351	2	120.9027	1.991	6	120.9027	1.991	6	120.9027	1.991	6	126.8573	9.194	44	126.8573	9.194	44
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:2:3:	3:3:3:	3:2:3:	C[6a]-3:Ge-2:B-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(GeBr)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB)	B(NC[6a]Ge)(NC[6a])(NCC)	N(C[6a]C[6a]2)(GeBr)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB){1|C<3>,2|H<1>}	B(NC[6a]Ge)(NC[6a])(NCC)	134.1410	0.000	1	134.1410	0.000	1	134.1410	0.000	1	134.1410	0.000	1	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:2:3:	3:3:3:	3:3:3:	C[6a]-3:Ge-2:B-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(GeCl)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB)	B(NC[6a]Ge)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(GeCl)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB){1|C<3>,2|H<1>}	B(NC[6a]Ge)(NC[6a]H)(NCC)	133.7740	0.000	1	133.7740	0.000	1	133.7740	0.000	1	133.7740	0.000	1	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:Cl-1:	N(C[6a]C[6a]2)(BC[6a]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(C[6a]C[6a]2)(NC[6a]H)(Cl)	N(C[6a]C[6a]2)(BC[6a]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[6a]H)(Cl)	128.0240	0.000	1	128.0240	0.000	1	128.0240	0.000	1	127.9792	8.835	5	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(BHN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(NC[6a]H)2(H)	N(C[6a]C[6a]2)(BHN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]H)2(H)	125.4115	0.496	2	125.4115	0.246	2	125.4115	0.246	2	127.9792	8.835	5	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:Br-1:	N(C[6a]C[6a]2)(BN[6]Br)(H)	C[6a](C[6a]C[6a]2)2(NBH)	B(N[6]C[6]2)(NC[6a]H)(Br)	N(C[6a]C[6a]2)(BN[6]Br)(H)	C[6a](C[6a]C[6a]2)2(NBH){2|H<1>,5|C<3>}	B(N[6]C[6]2)(NC[6a]H)(Br)	132.6400	0.000	1	132.6400	0.000	1	132.6400	0.000	1	127.9792	8.835	5	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:Cl-1:	N(C[6a]C[6a]2)(BN[6]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(N[6]C[6]2)(NC[6a]H)(Cl)	N(C[6a]C[6a]2)(BN[6]Cl)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(N[6]C[6]2)(NC[6a]H)(Cl)	128.4090	0.000	1	128.4090	0.000	1	128.4090	0.000	1	127.9792	8.835	5	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-2:	N(C[6a]C[6a]2)(BN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(N[6]C[6]2)(NC[6a]H)(OC)	N(C[6a]C[6a]2)(BN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(N[6]C[6]2)(NC[6a]H)(OC)	126.9170	0.000	1	126.9170	0.000	1	126.9170	0.000	1	126.9170	0.000	1	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:N-3:	N(C[6a]C[6a]2)(BC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NBH)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(BC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]H)	131.1050	0.000	1	131.1050	0.000	1	131.1050	0.000	1	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(C[6a]C[6a]2)2(NC[6a]H)	N(C[6a]C[6a]2)(BC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NC[6a]H)	132.7485	1.091	2	132.7485	1.190	2	132.7485	1.190	2	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH)	B(C[6a]C[6a]2)(NC[6a]H)2	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NBH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[6a]H)2	131.5715	0.861	2	131.5715	0.741	2	131.1080	1.015	3	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(C[6a]C[6a]2)(NC[6a]Li)(NC[6a]H)	N(C[6a]C[6a]2)(BC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(NC[6a]Li)(NC[6a]H)	130.1810	0.000	1	130.1810	0.000	1	131.1080	1.015	3	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:B-3:N-3:	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(NC[6a]H)(BNN)(NCC)	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]H)(BNN)(NCC)	129.7585	0.319	2	129.7585	0.102	2	129.7585	0.102	2	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:B-3:	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(NC[6a]H)2(BNN)	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]H)2(BNN)	126.8685	1.710	2	126.8685	2.926	2	130.9921	6.148	10	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:B-3:	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]H)2(NBH)	B(NC[6a]H)2(BNN)	N(C[6a]C[6a]2)(BBN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]H)2(BNN)	132.0230	1.189	8	132.0230	1.413	8	130.9921	6.148	10	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(NC[6a]Ge)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]Ge)(NC[6a]H)(NCC)	126.7520	0.873	2	126.7520	0.761	2	128.1453	5.351	12	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(NC[6a]H)2(NCC)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]H)2(NCC)	129.3088	3.202	4	129.3088	10.256	4	128.1453	5.351	12	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(NC[6a]H)3	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]H)3	126.9177	2.343	3	126.9177	5.489	3	128.1453	5.351	12	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]H)2(NBH)	B(NC[6a]H)3	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]H)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]H)3	128.7507	0.848	3	128.7507	0.719	3	128.1453	5.351	12	129.9036	6.499	30	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:N-3:	N(C[6a]C[6a]2)(BC[5]N)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(C[5]C[5]2Fe)(NC[6a]H)2	N(C[6a]C[6a]2)(BC[5]N)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(C[5]C[5]2Fe)(NC[6a]H)2	127.9960	2.193	2	127.9960	4.811	2	127.9960	4.811	2	127.9960	4.811	2	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:Cl-1:	N(C[6a]C[6a]2)(BClN)(CCC)	C[6a](C[6a]C[6a]C)2(NBC)	B(NC[6a]C)(NCC)(Cl)	N(C[6a]C[6a]2)(BClN)(CCC)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	B(NC[6a]C)(NCC)(Cl)	119.4130	0.000	1	119.4130	0.000	1	119.4130	0.000	1	121.2886	1.345	5	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)2(BHN)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	B(NC[6a]2)(NCH)(H)	N(C[6a]C[6a]2)2(BHN)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	B(NC[6a]2)(NCH)(H)	121.7575	0.572	4	121.7575	0.327	4	121.7575	0.327	4	121.2886	1.345	5	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NB[6]B)	B(C[6a]C[6a]2)2(NC[6a]B[6])	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NB[6]B){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NC[6a]B[6])	124.7930	0.000	1	124.7930	0.000	1	124.7930	0.000	1	123.3994	1.765	15	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:N-3:	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	C[6a](C[6a]C[6a]H)2(NBC)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	123.3994	1.765	15	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NBC)	B(C[6a]C[6a]2)2(NC[6a]C)	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NC[6a]C)	124.2550	0.000	1	124.2550	0.000	1	124.8655	0.745	2	123.3994	1.765	15	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NBC)	B(C[6a]C[6a]2)2(NC[6a]C)	N(C[6a]C[6a]2)(BC[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NC[6a]C)	125.4760	0.000	1	125.4760	0.000	1	124.8655	0.745	2	123.3994	1.765	15	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	B(C[6a]C[6a]2)2(NC[6a]2)	N(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	B(C[6a]C[6a]2)2(NC[6a]2)	123.2400	0.958	7	123.2400	0.917	7	123.2400	0.917	7	123.3994	1.765	15	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)2(BCC)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	B(NC[6a]2)(CCH)2	N(C[6a]C[6a]2)2(BCC)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	B(NC[6a]2)(CCH)2	123.1695	1.482	4	123.1695	2.196	4	123.1695	2.196	4	123.3994	1.765	15	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:H-1:	N(C[6a]C[6a]2)(BCH)(CCO)	C[6a](C[6a]C[6a]C)2(NBC)	B(NC[6a]C)(CHHN)(H)	N(C[6a]C[6a]2)(BCH)(CCO)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	B(NC[6a]C)(CHHN)(H)	117.7405	0.250	2	117.7405	0.062	2	117.7405	0.062	2	117.7405	0.062	2	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)2(BCC)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	B(NC[6a]2)(CCHH)2	N(C[6a]C[6a]2)2(BCC)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	B(NC[6a]2)(CCHH)2	123.4275	0.725	2	123.4275	0.525	2	123.4275	0.525	2	123.4275	0.525	2	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	4:3:3:	C[6a]-3:N-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:N-3:	N(C[6a]C[6a]2)(NC[6a]B)(BC[6]N)	C[6a](C[6a]C[6a]H)2(NBN)	B(C[6]C[6]2Cr)(NC[6a]N)(NCC)	N(C[6a]C[6a]2)(NC[6a]B)(BC[6]N)	C[6a](C[6a]C[6a]H)2(NBN){1|C<3>,2|H<1>}	B(C[6]C[6]2Cr)(NC[6a]N)(NCC)	128.2990	0.301	2	128.2990	0.091	2	128.2990	0.091	2	128.2990	0.091	2	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	4:3:4:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:C-4:	N(C[6a]C[6a]2)(BC[6]C)(CCO)	C[6a](C[6a]C[6a]C)2(NBC)	B(C[6]N[6]2H)(NC[6a]C)(CHHN)	N(C[6a]C[6a]2)(BC[6]C)(CCO)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	B(C[6]N[6]2H)(NC[6a]C)(CHHN)	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:3:	3:3:3:	4:4:3:	C[6a]-3:P-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-4:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(BC[6]2)	C[6a](C[6a]C[6a]C)2(NBP)	B(C[6]C[6]2H)2(NC[6a]P)	N(C[6a]C[6a]2)(PC[6a]2)(BC[6]2)	C[6a](C[6a]C[6a]C)2(NBP){1|C<3>,2|H<1>}	B(C[6]C[6]2H)2(NC[6a]P)	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:3:4:	3:3:3:	3:3:3:	B-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6a]-3:N-3:	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)2(NBC)	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:4:3:	3:2:3:	3:3:1:	C[6a]-3:Si-4:B-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(SiC3)(BHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB)	B(NC[6a]Si)2(H)	N(C[6a]C[6a]N[6a])(SiC3)(BHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB){1|C<3>,1|H<1>,1|N<3>}	B(NC[6a]Si)2(H)	122.8957	2.292	4	122.8957	5.252	4	122.8957	5.252	4	122.8957	5.252	4	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP2_SP2_SP2	N	C[6a]	B	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:Ge-4:B-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(GeBr3)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB)	B(NC[6a]Ge)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(GeBr3)(BNN)	C[6a](C[6a]C[6a]C)2(NGeB){1|C<3>,2|H<1>}	B(NC[6a]Ge)(NC[6a]H)(NCC)	130.4005	0.981	2	130.4005	0.962	2	130.4005	0.962	2	130.4005	0.962	2	126.6994	18.256	75	126.6994	18.256	75
956	643	770	0:SP3_SP2_SP2	N	C[6a]	B	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:B-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH)	B(NC[6a]Ge)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(BNN)(H)	C[6a](C[6a]C[6a]C)2(NBH){1|C<3>,2|H<1>}	B(NC[6a]Ge)(NC[6a]H)(NCC)	127.0220	0.000	1	127.0220	0.000	1	127.0220	0.000	1	127.0220	0.000	1	127.0220	0.000	1	127.0220	0.000	1
956	643	790	0:SP2_SP-NON_SP2	N	C[6a]	Cl	3:1:1:	2:3:3:	3:	C[6a]-3:Cl-1:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH)	Cl(NC[6a]H)	N(C[6a]C[6a]N[6a])(Cl)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NClH){1|H<1>,2|C<3>}	Cl(NC[6a]H)	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	114.3342	0.295	4	114.3342	0.295	4
956	643	790	0:SP2_SP-NON_SP2	N	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCO)(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NClC)	Cl(NC[6a]C)	N(C[6a]C[6a]2)(CCO)(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NClC){1|C<3>,2|H<1>}	Cl(NC[6a]C)	115.0580	0.000	1	115.0580	0.000	1	114.3473	0.441	3	114.3473	0.441	3	114.3342	0.295	4	114.3342	0.295	4
956	643	790	0:SP2_SP-NON_SP2	N	C[6a]	Cl	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	C[6a](C[6a]C[6a]H)2(NClC)	Cl(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	C[6a](C[6a]C[6a]H)2(NClC){1|C<3>,2|H<1>}	Cl(NC[6a]C)	113.9920	0.354	2	113.9920	0.125	2	114.3473	0.441	3	114.3473	0.441	3	114.3342	0.295	4	114.3342	0.295	4
956	643	813	0:SP2_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	2:2:3:	3:2:3:	N[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	118.8460	0.000	1	116.8953	1.011	9	116.8953	1.011	9
956	643	813	0:SP2_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>}	116.0790	0.000	1	116.0790	0.000	1	116.6515	0.544	8	116.6515	0.544	8	116.8953	1.011	9	116.8953	1.011	9
956	643	813	0:SP2_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	116.7333	0.756	7	116.7333	0.572	7	116.6515	0.544	8	116.6515	0.544	8	116.8953	1.011	9	116.8953	1.011	9
956	643	813	0:SP3_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	2:2:3:	3:2:3:	N[5a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H)	N(N[5a]C[5a]N[5a])(C[6a]N[6a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[5a](C[5a]N[5a]H)(N[5a]C[5a])(NC[6a]H){1|N<3>}	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	117.2587	2.049	18	117.2587	2.049	18
956	643	813	0:SP3_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:N[5a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H)	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H)	N(C[6a]N[6a]2)(N[5a]C[5a]2)(H)	C[6a](N[6a]N[5a,6a])(N[6a]N[6a])(NN[5a]H){2|C<3>}	N[5a](C[5a]C[5a]N[5a])(C[5a]N[5a]H)(NC[6a]H){1|C<3>,1|N<2>}	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	117.7440	0.000	1	117.2587	2.049	18	117.2587	2.049	18
956	643	813	0:SP3_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NN[5a]H){1|Cl<1>,1|C<3>,1|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	116.2057	1.361	3	116.2057	1.852	3	117.2273	2.311	15	117.2273	2.311	15	117.2587	2.049	18	117.2587	2.049	18
956	643	813	0:SP3_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<3>}	117.7849	1.334	9	117.4827	2.249	12	117.2273	2.311	15	117.2273	2.311	15	117.2587	2.049	18	117.2587	2.049	18
956	643	813	0:SP3_SP2_SP2	N	C[6a]	N[5a]	3:3:1:	3:3:3:	3:2:3:	N[5a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H)	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H)	N(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[5a]H){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C)(N[5a]N[5a])(NC[6a]H){1|C<4>}	116.5763	1.899	3	117.4827	2.249	12	117.2273	2.311	15	117.2273	2.311	15	117.2587	2.049	18	117.2587	2.049	18
956	643	813	0:SP3_SP2_SP2	N	C[6a]	N[5a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:N[5a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5a]-3:N-3:	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NN[5a]C)	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C)	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NN[5a]C){1|C<3>,2|H<1>}	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	116.1950	0.000	1	117.2587	2.049	18	117.2587	2.049	18
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:Ge-4:	C[6a]-3:C[6a]-3:N-3:	C[5,5,6]-4:C[5,6]-3:N-3:	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(GeCl2Rh)	C[6a](C[6a]C[6a]C)2(NC[5,6]Ge)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P[5])(NC[6a]Ge)	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(GeCl2Rh)	C[6a](C[6a]C[6a]C)2(NC[5,6]Ge){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P[5])(NC[6a]Ge){1|Rh<6>,1|C<4>,2|N<3>,5|H<1>}	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	117.3777	1.618	3	117.3777	1.618	3	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[5,5,6]-4:C[5,6]-3:N-3:	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(SiC[6a]CN)	C[6a](C[6a]C[6a]C)2(NC[5,6]Si)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si)	N(C[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(SiC[6a]CN)	C[6a](C[6a]C[6a]C)2(NC[5,6]Si){1|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]P)(NC[6a]Si){1|C<4>,5|H<1>}	116.6440	0.075	2	116.6440	0.006	2	116.6440	0.006	2	117.3777	1.618	3	117.3777	1.618	3	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H){1|C<3>,2|H<1>}	128.2567	0.250	4	127.8397	1.346	8	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H){1|O<1>,2|H<1>}	129.2920	0.000	1	127.8397	1.346	8	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H){4|H<1>}	125.3880	0.000	1	127.8397	1.346	8	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|H<1>,2|C<3>}	C[5](N[5]C[5])(S[5]C[5])(NC[6a]H){1|O<1>,2|H<1>}	127.5055	0.441	2	127.8397	1.346	8	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5])(S[5]S[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5])(S[5]S[5])(NC[6a]H){1|N<3>}	130.3410	0.000	1	130.3410	0.000	1	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H){1|C<3>,2|C<4>}	125.9030	0.000	1	127.8397	2.817	3	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]N[5])(S[5]C[5])(NC[6a]H){1|C<4>,1|H<1>}	128.8080	0.089	2	127.8397	2.817	3	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]S[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]S[5])(S[5]C[5])(NC[6a]H){1|C<3>}	129.7590	0.000	1	129.7590	0.000	1	128.1798	1.958	13	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[5](S[5]In[4x5])(N[5]N[5,5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[5](S[5]In[4x5])(N[5]N[5,5])(NC[6a]H){1|C<3>,1|S<2>,3|N<3>}	131.4280	0.181	2	131.4280	0.033	2	131.1256	0.765	9	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[5](S[5]In[5,5])(N[5]N[5,5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[5](S[5]In[5,5])(N[5]N[5,5])(NC[6a]H){2|Cl<1>,1|C<3>,1|N<3>,1|O<2>}	131.9860	0.000	1	131.9860	0.000	1	131.1256	0.765	9	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NC[6a]H){1|C<3>,1|S<2>,2|N<3>}	130.4770	0.000	1	130.4770	0.000	1	131.1256	0.765	9	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](S[5]Ga[3x5])(N[5]N[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](S[5]Ga[3x5])(N[5]N[5])(NC[6a]H){1|C<3>,1|S<2>,2|N<3>}	129.6770	0.000	1	129.6770	0.000	1	131.1256	0.765	9	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NC[6a]H){1|C<3>,1|S<2>,3|N<3>}	131.0040	1.237	2	131.0040	1.531	2	131.1256	0.765	9	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](S[5]In[4x5])(N[5]N[5,5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](S[5]In[4x5])(N[5]N[5,5])(NC[6a]H){1|C<3>,1|S<2>,3|N<3>}	131.5630	0.836	2	131.5630	0.699	2	131.1256	0.765	9	129.3849	3.607	22	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6a]H){1|H<1>,1|N<2>,2|C<3>}	130.6500	0.163	2	130.6500	0.026	2	129.4880	2.238	4	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H){1|H<1>,2|C<3>,2|O<1>}	129.1280	0.000	1	128.3260	1.286	2	129.4880	2.238	4	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[6a]H){1|H<1>,2|C<3>,2|O<1>}	127.5240	0.000	1	128.3260	1.286	2	129.4880	2.238	4	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H){1|C<3>,1|H<1>}	122.5800	0.000	1	122.5800	0.000	1	127.1484	9.646	5	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NC[6a]H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	129.2540	0.000	1	129.2540	0.000	1	127.1484	9.646	5	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H){1|C<3>,1|H<1>}	127.9693	2.373	3	127.9693	5.629	3	127.1484	9.646	5	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:O[5]-2:N-3:	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H)	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H){1|O<1>,2|H<1>}	124.0570	0.000	1	124.0570	0.000	1	126.2500	4.356	3	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:O[5]-2:N-3:	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H)	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(O[5]C[5])(NC[6a]H){1|O<1>,2|H<1>}	126.4810	0.000	1	126.4810	0.000	1	126.2500	4.356	3	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:O[5]-2:N-3:	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H)	N(C[5]C[5]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(O[5]B[5,5])(NC[6a]H){2|O<2>,3|C<3>}	128.2120	0.000	1	128.2120	0.000	1	126.2500	4.356	3	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:S[5]-2:N-3:	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a]H)	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]C[5])(NC[6a]H){4|H<1>}	127.2960	0.000	1	127.2960	0.000	1	124.8607	4.448	3	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:S[5]-2:N-3:	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a]H)	N(C[5]C[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(S[5]S[5])(NC[6a]H){1|N<2>}	123.6430	0.027	2	123.6430	0.001	2	124.8607	4.448	3	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(NC[6a]H){1|C<4>,1|H<1>}	121.8640	0.000	1	121.8640	0.000	1	121.0028	2.321	4	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(NC[6a]H){1|O<1>,2|C<3>,2|C<4>}	118.8940	0.000	1	118.8940	0.000	1	121.0028	2.321	4	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]H){1|H<1>,3|C<3>}	122.3320	0.000	1	121.6265	0.995	2	121.0028	2.321	4	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]H)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(NC[6a]H){2|C<3>,4|H<1>}	120.9210	0.000	1	121.6265	0.995	2	121.0028	2.321	4	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H)	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a]H){4|H<1>}	121.8645	2.616	2	121.8645	6.841	2	121.8645	6.841	2	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5]-3:N[5]-2:N-3:	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H)	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[5]C[5]N[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[5]H){2|H<1>,3|C<3>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]H){1|C<3>,1|H<1>}	127.4650	3.579	3	127.4650	12.806	3	127.4650	12.806	3	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5]H)(N[5]C[5])(NC[6a]H){4|H<1>}	125.2370	0.000	1	125.2370	0.000	1	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5]N)(N[5]C[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[5]N)(N[5]C[5])(NC[6a]H){1|C<3>,1|O<1>}	128.9370	0.000	1	128.9370	0.000	1	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|H<1>,3|C<3>}	123.8210	3.060	2	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ir<8>,3|C<3>}	124.2057	4.201	3	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Pd<4>,3|C<3>}	127.3670	0.000	1	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Rh<4>,3|C<3>}	122.1230	0.000	1	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Rh<6>,3|C<3>}	125.8090	0.000	1	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ru<5>,3|C<3>}	128.6370	0.000	1	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ru<6>,3|C<3>}	129.0360	0.000	1	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|Ru<9>,3|C<3>}	126.6200	0.000	1	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){4|C<3>}	126.7040	0.000	1	125.5463	8.667	12	125.7664	8.173	14	125.7339	10.987	38	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	129.9560	0.000	1	129.9560	0.000	1	128.3673	2.246	3	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>}	126.9790	0.000	1	126.9790	0.000	1	128.3673	2.246	3	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(NC[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	128.1670	0.000	1	128.1670	0.000	1	128.3673	2.246	3	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:N[5]-3:N-3:	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H)	N(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(NC[6a]H){3|H<1>,4|C<3>}	127.2990	0.000	1	127.2990	0.000	1	127.2990	0.000	1	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O){1|C<4>,1|H<1>,2|C<3>}	123.1050	0.000	1	123.1050	0.000	1	122.4725	0.800	2	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]O){1|H<1>,2|C<3>}	121.8400	0.000	1	121.8400	0.000	1	122.4725	0.800	2	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]S)(NC[6a]H){1|C<3>,1|O<1>}	125.0770	0.000	1	125.0770	0.000	1	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[5](C[5]Se[5]C)(C[5]N[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]Se[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>}	126.2300	0.000	1	126.2300	0.000	1	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]C[5a])(C[5]C[5,6a]N)(NC[6a]H){1|O<2>,3|C<3>}	128.0430	0.000	1	128.0430	0.000	1	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5,5]C)(C[5]O[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,5]C)(C[5]O[5]O)(NC[6a]H){2|C<3>}	128.2300	6.193	2	128.2300	38.351	2	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|O<2>}	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H){1|C<4>,4|C<3>}	121.9160	0.000	1	121.9160	0.000	1	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|O<2>}	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]O)(NC[6a]H){4|C<3>}	130.3065	0.808	2	130.3065	0.653	2	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]C[5]O)(NC[6a]H){1|C<3>,3|H<1>}	128.1280	1.284	2	128.1280	1.649	2	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	128.3810	0.000	1	128.3810	0.000	1	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]C[5]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	129.8620	0.000	1	129.8620	0.000	1	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>}	127.9078	1.671	4	127.8425	1.709	6	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]H){1|C<4>,2|C<3>}	127.7120	0.338	2	127.8425	1.709	6	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(NC[6a]H){1|C<4>,1|O<1>,2|C<3>}	127.2580	0.000	1	127.2580	0.000	1	127.7448	6.208	19	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[5,6]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|C<4>}	C[5](N[5]C[5,6]H)2(NC[6a]H){2|C<4>,2|H<1>}	132.7595	2.133	2	132.7595	4.551	2	129.6323	31.613	3	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H)	C[5](N[5]C[5]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]O)(NC[5]H){1|C<3>}	C[5](N[5]C[5]H)2(NC[6a]H){4|H<1>}	123.3780	0.000	1	123.3780	0.000	1	129.6323	31.613	3	127.6212	9.166	28	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-4:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	131.2910	0.600	2	131.2910	0.360	2	129.5250	13.718	4	129.5250	13.718	4	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-4:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	131.5220	0.000	1	131.5220	0.000	1	129.5250	13.718	4	129.5250	13.718	4	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-4:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5])(C[5]O[5]HH)(NC[6a]H){1|O<1>,2|C<3>}	123.9960	0.000	1	123.9960	0.000	1	129.5250	13.718	4	129.5250	13.718	4	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,5,6]-4:O[5]-2:N-3:	N(C[5]C[5,5,6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5,5,6]C[5,5,6]2H)(O[5]B[5,5])(NC[6a]H)	N(C[5]C[5,5,6]O[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(O[5]B[5,5])(NC[6a]H){2|H<1>,2|O<2>,3|C<4>}	128.8550	0.000	1	128.8550	0.000	1	128.8550	0.000	1	126.1987	21.320	3	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:2:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N[5]-2:N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	124.8705	5.662	2	124.8705	32.056	2	124.8705	32.056	2	126.1987	21.320	3	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	128.8030	0.000	1	128.8030	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[5](C[5]As[5]HH)(C[5]P[5]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]As[5]HH)(C[5]P[5]C)(NC[6a]H){2|C<3>}	125.2900	0.000	1	125.2900	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H){4|H<1>}	124.9720	0.489	2	124.9720	0.239	2	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[5]H){1|Br<1>,1|C<3>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){4|H<1>}	132.5990	0.000	1	132.5990	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>,2|H<1>}	129.6950	0.000	1	129.6950	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]H)(NC[6a]H){1|O<1>,2|H<1>}	131.6120	0.000	1	131.6120	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5,5]C)(NC[6a]H){1|H<1>,5|C<3>}	129.2200	0.000	1	129.2200	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5])(NC[6a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	125.0120	0.000	1	125.0120	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H){1|O<1>}	125.9115	2.319	2	125.9115	5.376	2	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(C[5]C[5]C)(NC[6a]H){1|O<1>}	128.2920	0.000	1	128.2920	0.000	1	127.6908	7.917	12	127.6908	7.917	12	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:4:3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-4:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O)	N(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O){3|C<3>}	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	121.0110	0.000	1	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:2:2:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	N-3:N[6a]-2:N[6a]-2:	C[5,5a]-3:C[5]-3:N-3:	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](NC[6a]C[5])(N[6a]C[6a])2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2)	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](NC[6a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2){1|H<1>,1|O<1>,4|C<3>}	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[5](N[5]C[5])(S[5]C[5])(NC[6a]C)	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[5](N[5]C[5])(S[5]C[5])(NC[6a]C){1|C<3>,1|O<1>}	116.6290	0.000	1	116.6290	0.000	1	116.6290	0.000	1	119.9387	12.233	7	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:O[5]-2:N-3:	N(C[5]N[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[5](N[5]C[5])(O[5]N[5])(NC[6a]2)	N(C[5]N[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[5](N[5]C[5])(O[5]N[5])(NC[6a]2){1|C<4>,2|C<3>}	120.5627	4.369	4	120.5627	19.084	4	120.5627	19.084	4	119.9387	12.233	7	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	O[5]-2:O[5]-2:N-3:	N(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[5](O[5]C[5])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[5](O[5]C[5])2(NC[6a]2){1|C<3>,2|H<1>}	120.3455	1.817	2	120.3455	3.300	2	120.3455	3.300	2	119.9387	12.233	7	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:Se[5]-2:N-3:	N(C[5]Se[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[5](C[5]C[6a]N[5])(Se[5]C[5])(NC[6a]2)	N(C[5]Se[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5])(Se[5]C[5])(NC[6a]2){3|C<3>}	118.5730	0.602	2	118.5730	0.363	2	118.5730	0.363	2	118.5730	0.363	2	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:2:	C[5]-3:C[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:N-3:N[5]-2:	N(C[5]C[5,6a]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5])	N(C[5]C[5,6a]N[5])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(NC[5]2){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(NC[6a]C[5])(N[5]S[5]){1|H<1>,2|C<3>,2|O<1>}	118.8430	1.809	2	118.8430	3.272	2	118.8430	3.272	2	118.8430	3.272	2	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]H)(NC[6a]C){1|H<1>,3|C<3>}	121.0500	0.840	2	121.0500	0.706	2	119.9517	3.972	3	119.7212	2.860	4	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]C)2(NC[5]C)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]C){1|H<1>,3|C<3>}	117.7550	0.000	1	117.7550	0.000	1	119.9517	3.972	3	119.7212	2.860	4	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,5a]-3:C[5]-3:N-3:	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2)	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[6a]C[5])(NC[6a]2){1|H<1>,1|O<1>,4|C<3>}	119.0300	0.000	1	119.0300	0.000	1	119.0300	0.000	1	119.7212	2.860	4	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:3:	3:3:3:	3:4:3:	C[5]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6]-4:N-3:	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NB[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Rh)(NC[6a]B[5])	N(C[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NB[5]C[5]){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]Rh)(NC[6a]B[5]){2|C<3>,2|C<4>,2|H<1>}	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	117.2620	0.000	1	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:4:	3:3:3:	2:2:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[5]-2:O[5]-2:N-3:	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[5](N[5]C[5])(O[5]N[5])(NC[6a]C)	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[5](N[5]C[5])(O[5]N[5])(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	121.9210	0.000	1	121.9210	0.000	1	121.9210	0.000	1	121.9210	0.000	1	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:4:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:N[5]-2:P[5]-2:	N(C[5]N[5]P[5])(C[6a]C[6a]2)(SiSi3)	C[6a](C[6a]C[6a]C)2(NC[5]Si)	C[5](NC[6a]Si)(N[5]P[5])(P[5]N[5])	N(C[5]N[5]P[5])(C[6a]C[6a]2)(SiSi3)	C[6a](C[6a]C[6a]C)2(NC[5]Si){1|C<3>,2|H<1>}	C[5](NC[6a]Si)(N[5]P[5])(P[5]N[5]){1|Si<4>}	114.7290	0.000	1	114.7290	0.000	1	114.7290	0.000	1	114.7290	0.000	1	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:4:	3:3:3:	3:2:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]C)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]C){1|C<3>,1|H<1>}	121.3495	1.422	2	121.3495	2.022	2	121.3495	2.022	2	121.3495	2.022	2	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C){1|H<1>,1|O<1>,2|C<3>}	121.9620	0.000	1	121.9620	0.000	1	121.9620	0.000	1	121.0610	1.624	2	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C)	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C)	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[5]C){1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C){1|C<3>,1|O<1>}	120.1600	0.000	1	120.1600	0.000	1	120.1600	0.000	1	121.0610	1.624	2	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:4:	3:3:3:	4:3:3:	C[5]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-4:C[5]-3:N-3:	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[5]S)	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S)	N(C[5]C[5,6]C[5])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NC[5]S){1|C<3>,2|H<1>}	C[5](C[5,6]C[5,6a]C[6]2)(C[5]C[5,6a]H)(NC[6a]S){2|H<1>,4|C<3>}	118.3847	0.628	4	118.3847	0.394	4	118.3847	0.394	4	118.3847	0.394	4	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP2_SP2_SP2	N	C[6a]	C[5]	3:3:5:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:In-5:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(InCl3O)	C[6a](C[6a]C[6a]H)2(NC[5]In)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(InCl3O)	C[6a](C[6a]C[6a]H)2(NC[5]In){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]In){1|H<1>,3|C<3>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	125.6958	19.600	136	125.5162	20.669	139
956	643	818	0:SP3_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N[5]-2:N-3:	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H)	N(C[6a]C[6a]2)(C[5]N[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]N[5])(NC[6a]H){1|H<1>,3|C<3>}	126.7950	0.000	1	126.7950	0.000	1	126.7950	0.000	1	126.7950	0.000	1	123.2302	7.051	4	123.2302	7.051	4
956	643	818	0:SP3_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H){1|H<1>,3|C<3>}	120.5660	0.000	1	120.5660	0.000	1	120.5660	0.000	1	122.0160	4.205	2	123.2302	7.051	4	123.2302	7.051	4
956	643	818	0:SP3_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H)	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]H)2(NC[5]H){1|C<3>,2|O<2>}	C[5](C[5]C[5,6a]C[5,6])(C[5]C[5,6a]O)(NC[6a]H){1|C<4>,4|C<3>}	123.4660	0.000	1	123.4660	0.000	1	123.4660	0.000	1	122.0160	4.205	2	123.2302	7.051	4	123.2302	7.051	4
956	643	818	0:SP3_SP2_SP2	N	C[6a]	C[5]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H)	N(C[6a]C[6a]2)(C[5]C[5]2)(H)	C[6a](C[6a]C[6a]C)2(NC[5]H){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]P)(NC[6a]H){4|H<1>}	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	123.2302	7.051	4	123.2302	7.051	4
956	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[4]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:	N(C[6a]C[6a]2)(C[4]N[4]2)(H)	C[6a](C[6a]C[6a]C)2(NC[4]H)	C[4](N[4]As[4]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[4]N[4]2)(H)	C[6a](C[6a]C[6a]C)2(NC[4]H){1|C<3>,2|H<1>}	C[4](N[4]As[4]C[6a])2(NC[6a]H){1|Cl<1>,4|C<3>}	123.6730	0.000	1	123.6730	0.000	1	123.6730	0.000	1	123.6730	0.000	1	121.1757	1.704	11	121.1757	1.704	11
956	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-3:	S[4]-2:S[4]-2:N-3:	N(C[6a]C[6a]2)2(C[4]S[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[4](S[4]Si[4,4])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[4]S[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[4](S[4]Si[4,4])2(NC[6a]2){2|Cl<1>,2|S<2>}	121.2970	1.519	4	121.2970	2.308	4	121.2970	2.308	4	121.2970	2.308	4	121.1757	1.704	11	121.1757	1.704	11
956	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-3:	C[4]-3:C[4]-3:N-3:	N(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[4](C[4]C[4]O)2(NC[6a]2)	N(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[4](C[4]C[4]O)2(NC[6a]2){1|O<2>}	120.6235	0.842	2	120.6235	0.709	2	120.6235	0.709	2	120.6787	0.469	6	121.1757	1.704	11	121.1757	1.704	11
956	643	846	0:SP2_SP2_SP2	N	C[6a]	C[4]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:	N(C[6a]C[6a]2)2(C[4]N[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[4](N[4]C[6a]B[4])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[4]N[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[4](N[4]C[6a]B[4])2(NC[6a]2){2|Cl<1>,4|C<3>}	120.7062	0.736	4	120.7062	0.542	4	120.7062	0.542	4	120.6787	0.469	6	121.1757	1.704	11	121.1757	1.704	11
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:2:3:	2:2:3:1:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:N[6a]-2:N-3:	O[6]-2:O[6]-2:N-3:O-1:	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H)	P[6](O[6]C[6])2(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NP[6]H){1|C<3>,2|H<1>}	P[6](O[6]C[6])2(NC[6a]H)(O){1|C<3>,1|C<4>,3|H<1>}	130.3745	1.012	2	130.3745	1.024	2	130.3745	1.024	2	130.3745	1.024	2	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:1:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	O[6]-2:O[6]-2:N-3:O-1:	N(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	P[6](O[6]C[5,6])(O[6]C[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(P[6]O[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	P[6](O[6]C[5,6])(O[6]C[6])(NC[6a]H)(O){2|C<4>,3|H<1>}	127.8940	0.000	1	127.8940	0.000	1	127.8940	0.000	1	127.8940	0.000	1	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:2:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:N-2:	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6a]H)(NC[6a]){4|Cl<1>,1|N<2>}	130.1150	0.000	1	130.1150	0.000	1	130.1150	0.000	1	128.3986	3.796	8	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:2:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:O-2:	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)(OC)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	127.9400	1.112	2	128.3780	1.193	3	128.1534	3.868	7	128.3986	3.796	8	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:2:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:O-2:	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)(OC)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6a]H)(OC){1|N<2>,2|C<3>,2|O<2>}	129.2540	0.000	1	128.3780	1.193	3	128.1534	3.868	7	128.3986	3.796	8	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:2:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:O-2:	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)(OP[6])	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6a]H)(OP[6]){4|Cl<1>,1|N<2>}	127.9850	2.618	4	127.9850	6.852	4	128.1534	3.868	7	128.3986	3.796	8	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:N-3:	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)2	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	P[6](N[6]P[6])2(NC[6a]H)2{4|Cl<1>,1|N<2>}	126.8487	1.503	4	126.8487	2.260	4	124.9625	5.576	10	124.9625	5.576	10	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:N-3:	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)2	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NP[6]H){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6a]H)2{4|Cl<1>,1|N<2>}	125.5580	1.922	2	125.5580	3.694	2	124.9625	5.576	10	124.9625	5.576	10	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	2:2:3:3:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:N-3:	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)2	N(C[6a]C[6a]2)(P[6]N[6]2N)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,2|H<1>}	P[6](N[6]P[6])2(NC[6a]H)2{4|Cl<1>,1|N<2>}	122.7785	1.377	4	122.7785	1.897	4	124.9625	5.576	10	124.9625	5.576	10	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP2_SP2_SP3	N	C[6a]	P[6]	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:P[6]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H)	P[6](N[6]C[6]H)2(NC[6a]H)(O)	N(C[6a]C[6a]2)(P[6]N[6]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[6]H){1|C<3>,1|C<4>,1|H<1>}	P[6](N[6]C[6]H)2(NC[6a]H)(O){1|C<4>,4|H<1>}	127.5300	0.000	1	127.5300	0.000	1	127.5300	0.000	1	127.5300	0.000	1	126.9540	7.560	22	126.9540	7.560	22
956	643	849	0:SP3_SP2_SP3	N	C[6a]	P[6]	4:3:1:	3:3:3:	2:2:3:1:	P[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H)	P[6](N[6]P[6])2(NC[6a]H)(Cl)	N(P[6]N[6]2Cl)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NP[6]H){1|C<3>,1|H<1>,1|O<2>}	P[6](N[6]P[6])2(NC[6a]H)(Cl){4|Cl<1>,1|N<2>}	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1
956	643	856	0:SP2_SP2_SP2	N	C[6a]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H)	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H){1|Pd<4>,4|C<3>}	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	117.6620	0.000	1	117.5855	0.532	4	117.5855	0.532	4
956	643	856	0:SP2_SP2_SP2	N	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:C[6]-3:N-3:	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H)	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	117.1520	0.590	2	117.5855	0.532	4	117.5855	0.532	4
956	643	856	0:SP2_SP2_SP2	N	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6]-3:N-3:	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	117.6950	0.000	1	117.6950	0.000	1	117.6950	0.000	1	117.1520	0.590	2	117.5855	0.532	4	117.5855	0.532	4
956	643	856	0:SP2_SP2_SP2	N	C[6a]	N[6]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:N[6]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NN[6]S)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	C[6a](C[6a]C[6a]H)2(NN[6]S){1|C<3>,2|H<1>}	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	117.5855	0.532	4	117.5855	0.532	4
956	643	856	0:SP2_SP2_SP3	N	C[6a]	N[6,6]	3:3:1:	3:3:3:	4:4:3:	N[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6,6]-4:N-3:	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H)	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[6,6]H){1|C<3>,2|H<1>}	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1	117.7080	0.000	1
956	643	856	0:SP3_SP2_SP2	N	C[6a]	N[6]	3:3:1:	3:3:3:	4:3:3:	N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:C[6]-3:N-3:	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NN[6]H){1|C<3>,2|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1
956	643	857	0:SP2_SP2_SP2	N	C[6a]	Ge[4]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:Ge[4]-3:	C[6a]-3:N-3:N[6a]-2:	N[4,6]-3:N[4]-3:N-3:	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a])	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2)	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	Ge[4](N[4,6]C[4,6]C[6])(N[4]C[4,6]C[6a])(NC[6a]2){1|C<4>,1|N<2>,3|C<3>}	118.3415	8.182	2	118.3415	66.944	2	118.3415	66.944	2	118.3415	66.944	2	118.0185	39.499	4	118.0185	39.499	4
956	643	857	0:SP2_SP2_SP2	N	C[6a]	Ge[4]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Ge[4]-3:As-3:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	C[6a](C[6a]C[6a]H)2(NGe[4]As)	Ge[4](N[4]C[4]C)2(NC[6a]As)	N(C[6a]C[6a]2)(Ge[4]N[4]2)(AsC[6a]2)	C[6a](C[6a]C[6a]H)2(NGe[4]As){1|C<3>,2|H<1>}	Ge[4](N[4]C[4]C)2(NC[6a]As){1|C<3>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	118.0185	39.499	4	118.0185	39.499	4
956	643	857	0:SP2_SP2_SP2	N	C[6a]	Ge[4]	3:3:4:	3:3:3:	4:2:3:	Ge[4]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	Ge[4,4]-4:Ge[4]-2:N-3:	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4]Si)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si)	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4]Si){1|C<3>,2|H<1>}	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si){1|Ge<3>,1|N<3>}	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	118.0185	39.499	4	118.0185	39.499	4
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	2:3:3:	3:	C[6a]-3:O-1:O-1:	N[6a]-2:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](N[6a]N[5a,6a])(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	O(NC[6a]O)	116.5118	1.104	6	116.5118	1.218	6	116.5118	1.218	6	116.5118	1.218	6	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.6810	1.423	2	117.6810	2.024	2	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.5415	1.619	2	117.5415	2.620	2	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	117.8735	1.788	2	117.8735	3.198	2	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]N[5a])(N[6a]C[6a])(NOO){1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	117.2030	0.587	2	117.2030	0.344	2	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.3935	0.120	2	118.0725	0.263	4	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.7515	0.602	2	118.0725	0.263	4	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[5a,6a]N)(N[6a]N[6a])(NOO){1|C<3>,1|N<2>}	O(NC[6a]O)	118.3010	0.862	6	118.3010	0.743	6	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:2:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NOO){1|C<3>,1|N<3>}	O(NC[6a]O)	117.9351	1.221	14	117.9351	1.491	14	117.9308	1.112	32	117.9308	1.112	32	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,2|C<4>}	O(NC[6a]O)	117.9275	0.452	2	117.9275	0.204	2	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|N<3>,3|C<3>}	O(NC[6a]O)	117.2835	0.682	2	117.2835	0.466	2	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,4|C<3>}	O(NC[6a]O)	118.1525	0.056	2	117.4606	0.658	57	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,1|S<4>,3|C<3>}	O(NC[6a]O)	117.6080	0.822	4	117.4606	0.658	57	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	O(NC[6a]O)	117.5099	0.931	8	117.4606	0.658	57	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	O(NC[6a]O)	117.3889	0.852	31	117.4606	0.658	57	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|S<4>,4|C<3>}	O(NC[6a]O)	117.4472	0.998	4	117.4606	0.658	57	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	O(NC[6a]O)	117.4491	0.628	8	117.4606	0.658	57	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(NC[6a]O)	118.9900	0.358	2	117.9635	1.031	24	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|N<3>}	O(NC[6a]O)	118.0230	1.434	2	117.9635	1.031	24	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	O(NC[6a]O)	118.1695	0.292	4	117.9635	1.031	24	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	119.0625	0.108	2	117.9635	1.031	24	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(NC[6a]O)	117.8068	0.455	10	117.9635	1.031	24	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	O(NC[6a]O)	117.0570	1.930	4	117.9635	1.031	24	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	117.6730	0.793	6	117.6146	0.426	10	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|O<2>,2|N<3>}	O(NC[6a]O)	117.2900	0.636	2	117.6146	0.426	10	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){2|C<4>,3|C<3>}	O(NC[6a]O)	117.7640	0.110	2	117.6146	0.426	10	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	O(NC[6a]O)	118.5050	0.146	2	118.2447	0.111	4	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>}	O(NC[6a]O)	117.9845	0.202	2	118.2447	0.111	4	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	O(NC[6a]O)	117.6983	0.705	6	117.6983	0.497	6	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	O(NC[6a]O)	118.2175	2.877	2	118.2175	8.278	2	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,3|C<4>}	O(NC[6a]O)	118.8490	1.199	2	118.8490	1.438	2	117.6720	0.809	109	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[5,6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[5,6a])(O)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[5,6a])(O)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO){1|C<3>,2|N<2>,2|S<2>}	O(NC[6a]O)	117.9840	0.414	2	117.9840	0.172	2	117.9840	0.172	2	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	118.1910	0.707	2	118.1910	0.500	2	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	O(NC[6a]O)	118.5150	1.935	2	118.1132	2.217	4	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|S<2>,2|C<3>}	O(NC[6a]O)	117.7115	1.504	2	118.1132	2.217	4	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO){1|H<1>,1|N<3>,5|C<3>}	O(NC[6a]O)	118.1085	1.508	2	118.1085	2.275	2	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	O(NC[6a]O)	117.7930	0.975	6	118.2240	0.737	32	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(NC[6a]O)	118.1780	0.804	12	118.2240	0.737	32	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(NC[6a]O)	118.8960	0.287	6	118.2240	0.737	32	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	O(NC[6a]O)	118.1124	0.974	8	118.2240	0.737	32	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO){1|C<3>,1|S<2>,2|N<2>}	O(NC[6a]O)	117.6505	0.046	2	117.6505	0.002	2	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO){1|C<4>,6|C<3>}	O(NC[6a]O)	117.6305	2.309	2	117.6305	5.330	2	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(NC[6a]O)	118.3030	0.858	2	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(NC[6a]O)	118.3147	0.736	26	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	O(NC[6a]O)	118.4560	0.537	8	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	O(NC[6a]O)	117.6390	0.902	4	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	O(NC[6a]O)	117.8255	0.487	2	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,3|N<3>}	O(NC[6a]O)	118.3180	0.236	2	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	O(NC[6a]O)	118.5530	1.039	2	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	O(NC[6a]O)	118.5775	0.095	4	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	118.2730	0.427	2	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	O(NC[6a]O)	118.9925	1.545	2	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.4142	1.093	4	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<2>,2|C<3>}	O(NC[6a]O)	118.5000	0.339	4	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	118.0360	1.480	4	118.3186	0.576	66	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>}	O(NC[6a]O)	118.7770	1.290	2	118.7770	1.663	2	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|C<4>,3|C<3>}	O(NC[6a]O)	118.4300	0.157	2	118.3551	0.105	11	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	O(NC[6a]O)	117.9785	0.361	2	118.3551	0.105	11	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|F<1>,3|C<3>}	O(NC[6a]O)	118.4187	0.437	3	118.3551	0.105	11	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|O<2>,3|C<3>}	O(NC[6a]O)	118.4583	0.230	4	118.3551	0.105	11	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<3>,3|N<2>}	O(NC[6a]O)	118.7505	0.081	2	118.7505	0.007	2	118.2782	0.652	125	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	O(NC[6a]O)	118.2440	0.400	8	118.2440	0.160	8	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	O(NC[6a]O)	118.5480	0.997	2	118.5480	0.994	2	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	118.1165	1.276	2	118.1165	1.629	2	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]Cl)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(NC[6a]O)	117.1430	1.308	2	117.1430	1.711	2	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(NC[6a]O)	118.5029	1.979	8	118.2965	1.962	52	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	O(NC[6a]O)	117.6645	0.560	22	118.2965	1.962	52	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<1>,3|C<3>}	O(NC[6a]O)	117.3470	0.408	4	118.2965	1.962	52	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	O(NC[6a]O)	119.1882	1.505	18	118.2965	1.962	52	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(NC[6a]O)	117.4280	0.273	2	117.4280	0.074	2	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<2>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	O(NC[6a]O)	116.7520	1.049	2	118.1014	1.439	14	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	O(NC[6a]O)	117.9375	1.777	2	118.1014	1.439	14	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(NC[6a]O)	119.7790	1.150	2	118.1014	1.439	14	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	O(NC[6a]O)	117.6515	1.452	2	118.1014	1.439	14	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(NC[6a]O)	118.7480	0.279	2	118.1014	1.439	14	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>,3|N<3>}	O(NC[6a]O)	117.9207	0.289	4	118.1014	1.439	14	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	O(NC[6a]O)	119.3658	0.652	6	118.8330	1.279	8	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<1>,3|C<3>}	O(NC[6a]O)	117.2345	0.135	2	118.8330	1.279	8	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,2|N<3>}	O(NC[6a]O)	117.9462	1.568	4	118.8495	1.654	12	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	O(NC[6a]O)	118.7795	0.719	2	118.8495	1.654	12	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NOO){1|C<4>,1|O<2>,2|C<3>}	O(NC[6a]O)	119.4750	0.967	6	118.8495	1.654	12	118.3345	1.606	102	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]2)(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NOO){2|H<1>,5|C<3>}	O(NC[6a]O)	118.1624	0.784	16	118.1624	0.614	16	118.1624	0.614	16	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5,6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	O(NC[6a]O)	117.5525	0.508	2	117.5525	0.258	2	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,3|C<3>}	O(NC[6a]O)	118.2235	0.240	2	118.2398	0.496	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	118.9670	0.499	2	118.2398	0.496	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[5a,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	O(NC[6a]O)	117.5290	0.325	2	118.2398	0.496	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	117.4114	4.820	5	117.4114	23.229	5	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	O(NC[6a]O)	117.8280	0.390	2	118.1038	0.138	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	O(NC[6a]O)	118.1290	0.505	2	118.1038	0.138	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]H)(NOO){1|O<2>,4|C<3>}	O(NC[6a]O)	118.3545	0.073	2	118.1038	0.138	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(NOO){1|O<2>,4|C<3>}	O(NC[6a]O)	117.9075	0.258	2	117.9075	0.067	2	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]H)(NOO){1|H<1>,4|C<3>}	O(NC[6a]O)	118.2295	0.301	2	118.2295	0.090	2	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	O(NC[6a]O)	118.5665	1.406	4	118.3085	1.355	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NOO){5|C<3>}	O(NC[6a]O)	117.7925	0.221	2	118.3085	1.355	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NOO){1|H<1>,1|N<2>,3|C<3>}	O(NC[6a]O)	119.9405	0.771	2	119.9405	0.595	2	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]S)(NOO){1|H<1>,4|C<3>}	O(NC[6a]O)	117.6080	0.864	2	117.6080	0.747	2	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO){1|N<2>,2|H<1>,4|C<3>}	O(NC[6a]O)	117.8015	0.176	2	117.9143	0.124	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NOO){2|H<1>,5|C<3>}	O(NC[6a]O)	117.9707	0.429	4	117.9143	0.124	6	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NOO){1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	117.9930	0.423	4	117.9930	0.179	4	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	O(NC[6a]O)	117.5930	1.203	2	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	O(NC[6a]O)	117.5387	1.576	4	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(NC[6a]O)	117.8325	0.158	2	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	118.0801	0.741	8	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	O(NC[6a]O)	118.0222	0.429	4	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.0749	0.850	10	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	118.4363	0.830	20	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	O(NC[6a]O)	117.5320	0.298	2	118.1207	0.742	52	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){1|H<1>,4|C<3>}	O(NC[6a]O)	118.3425	1.177	4	118.4219	0.626	8	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	118.5012	0.239	4	118.4219	0.626	8	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|Br<1>,5|C<3>}	O(NC[6a]O)	117.1525	0.289	2	117.5160	0.344	4	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(NOO){1|H<1>,5|C<3>}	O(NC[6a]O)	117.8795	0.647	2	117.5160	0.344	4	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|F<1>,3|C<3>}	O(NC[6a]O)	117.6360	1.882	2	117.6728	1.183	4	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Cl)(NOO){1|N<3>,3|C<3>}	O(NC[6a]O)	117.7095	0.009	2	117.6728	1.183	4	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	117.9723	1.042	6	118.0388	0.855	25	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	O(NC[6a]O)	118.0597	0.915	19	118.0388	0.855	25	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NOO){1|N<3>,3|C<3>}	O(NC[6a]O)	118.3600	1.838	2	118.3600	3.380	2	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	O(NC[6a]O)	118.1645	1.329	2	118.1645	1.765	2	118.0809	1.384	140	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[3,5]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(NC[6a]O)	118.1715	0.689	2	118.1715	0.475	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,5]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,4|C<3>}	O(NC[6a]O)	117.8757	0.641	14	117.8757	0.411	14	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Br)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	117.3985	1.295	4	117.3985	1.677	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	O(NC[6a]O)	117.7775	0.381	2	117.7775	0.145	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]C[6a])(C[6a]N[6a]N)(NOO){4|C<3>}	O(NC[6a]O)	118.8305	0.103	2	118.8305	0.011	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.6155	1.604	2	118.6155	2.574	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NOO){1|H<1>,1|O<2>,3|C<3>}	O(NC[6a]O)	118.1275	1.025	2	118.1275	1.050	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.8147	0.941	12	118.6431	1.026	14	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]C)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	117.6135	1.064	2	118.6431	1.026	14	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|Br<1>,2|C<3>}	O(NC[6a]O)	117.9039	1.025	8	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<2>,2|C<3>}	O(NC[6a]O)	117.6705	0.445	4	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.5010	0.417	68	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.5559	1.006	28	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.8190	0.143	2	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	O(NC[6a]O)	118.2037	0.489	20	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>}	O(NC[6a]O)	118.9525	0.814	2	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	118.5160	1.287	2	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.3594	0.617	42	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.8997	0.506	31	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>}	O(NC[6a]O)	118.2890	0.540	2	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NOO){1|Si<4>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.8565	0.625	8	118.3484	0.446	217	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.1345	0.534	4	118.1345	0.285	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	119.0184	0.348	10	118.7261	0.698	20	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.4338	1.078	10	118.7261	0.698	20	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]Br)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<2>}	O(NC[6a]O)	116.9656	1.141	12	116.9656	1.303	12	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>}	O(NC[6a]O)	117.5460	0.361	2	117.5460	0.130	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|N<3>}	O(NC[6a]O)	118.3045	0.807	2	118.3045	0.651	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	118.3944	0.491	28	118.4715	0.292	228	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.4699	0.503	78	118.4715	0.292	228	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.3879	0.419	14	118.4715	0.292	228	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	O(NC[6a]O)	118.5101	0.458	18	118.4715	0.292	228	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	118.0906	0.239	8	118.4715	0.292	228	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.5514	0.635	80	118.4715	0.292	228	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	118.1765	0.223	2	118.4715	0.292	228	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	119.6250	0.619	2	118.2970	1.308	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.5520	0.669	2	118.2970	1.308	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	117.7140	0.628	2	118.2970	1.308	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]H)(NOO){2|C<3>}	O(NC[6a]O)	119.4762	0.280	4	119.4762	0.078	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a,6a]N)(C[6a]N[6a]N)(NOO){1|N<2>,1|N<3>}	O(NC[6a]O)	118.5129	0.856	8	118.5129	0.733	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(NC[6a]O)	117.4745	0.070	2	117.4745	0.005	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	O(NC[6a]O)	117.6410	1.656	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(NC[6a]O)	117.9520	0.717	10	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	O(NC[6a]O)	117.7575	0.719	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(NC[6a]O)	118.5135	0.664	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	O(NC[6a]O)	117.8092	0.266	4	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	O(NC[6a]O)	117.3750	0.414	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	O(NC[6a]O)	117.0525	1.867	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(NC[6a]O)	117.5335	1.539	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	O(NC[6a]O)	118.1385	0.066	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>,2|N<3>}	O(NC[6a]O)	117.9990	0.598	2	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.2361	1.172	8	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	117.9510	0.491	10	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	118.9641	1.211	10	118.1003	0.934	58	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.2178	0.364	23	118.2178	0.132	23	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	117.5254	0.679	11	117.5254	0.460	11	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	O(NC[6a]O)	117.7615	1.413	4	117.7615	1.996	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	O(NC[6a]O)	119.8935	0.808	2	118.3862	1.499	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	117.6325	0.095	4	118.3862	1.499	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]C[6a])(C[6a]C[6a]N)(NOO){1|C<2>,1|C<4>,3|C<3>}	O(NC[6a]O)	118.4415	0.097	2	118.4415	0.009	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]F)(C[6a]C[6a]F)(NOO){1|C<3>,1|F<1>,1|N<3>}	O(NC[6a]O)	117.7930	0.164	2	117.7930	0.027	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]Cl)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	118.0300	0.670	2	118.0300	0.449	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|Br<1>,2|C<3>}	O(NC[6a]O)	117.9235	0.457	2	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.5089	0.617	46	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	118.2906	0.609	8	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	117.7375	0.317	2	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.4776	0.658	14	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.7447	0.418	8	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<2>}	O(NC[6a]O)	118.6415	0.904	2	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	O(NC[6a]O)	118.0985	1.061	2	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	118.2523	0.293	4	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.2590	0.471	62	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>}	O(NC[6a]O)	118.5465	0.265	2	118.3772	0.313	152	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	117.7913	0.410	4	117.9147	1.038	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.3162	0.972	4	117.9147	1.038	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	119.3585	0.585	2	117.9147	1.038	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	O(NC[6a]O)	118.6220	1.452	2	118.6220	2.109	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]N)(C[6a]C[6a]Br)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	117.0245	1.047	2	117.0245	1.097	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.5515	0.626	2	117.8560	0.617	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>}	O(NC[6a]O)	117.9795	0.159	2	117.8560	0.617	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.4465	0.862	4	117.8560	0.617	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	O(NC[6a]O)	117.2070	0.651	4	117.2070	0.424	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]C)(NOO){3|C<3>}	O(NC[6a]O)	117.8475	0.757	2	117.8475	0.574	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>}	O(NC[6a]O)	118.2535	0.749	2	118.2535	0.561	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NOO){2|C<3>}	O(NC[6a]O)	117.8310	0.723	2	117.8310	0.522	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]Cl)(C[6a]O[6a]O)(NOO){2|C<3>}	O(NC[6a]O)	118.0720	0.246	2	118.0720	0.061	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.2440	2.145	2	117.2440	4.603	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]Cl)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.7420	0.344	2	117.7420	0.118	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]F)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.1050	0.000	1	118.1050	0.000	1	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	118.1093	0.299	20	118.1774	0.310	95	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.2067	0.620	71	118.1774	0.310	95	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.9980	0.308	4	118.1774	0.310	95	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6,6a]H)(NOO){3|C<3>}	O(NC[6a]O)	120.0980	1.482	2	120.0980	2.197	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|N<2>}	O(NC[6a]O)	117.6820	0.549	2	117.7309	0.191	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>}	O(NC[6a]O)	117.5795	0.790	2	117.7309	0.191	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	117.9450	0.515	2	117.7309	0.191	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]N)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.7170	0.064	2	117.7309	0.191	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	118.2820	0.990	4	118.2820	0.979	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(NOO){1|C<4>,2|C<3>}	O(NC[6a]O)	119.2970	0.417	2	119.2970	0.174	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]F)(NOO){2|F<1>,3|C<3>}	O(NC[6a]O)	117.4765	0.656	4	117.4765	0.431	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,3|C<3>}	O(NC[6a]O)	117.9690	1.149	8	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(NC[6a]O)	118.1155	0.439	2	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	O(NC[6a]O)	118.1035	0.108	2	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	O(NC[6a]O)	118.4438	0.733	6	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	O(NC[6a]O)	118.3406	0.945	8	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|F<1>,1|H<1>,3|C<3>}	O(NC[6a]O)	118.6195	0.725	2	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	O(NC[6a]O)	117.9645	0.753	2	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	117.9660	0.006	2	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	O(NC[6a]O)	118.4466	0.683	14	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,1|S<4>,3|C<3>}	O(NC[6a]O)	118.7632	0.950	6	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|H<1>,4|C<3>}	O(NC[6a]O)	118.1264	0.685	16	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.1685	0.267	2	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|F<1>,3|C<3>}	O(NC[6a]O)	117.6660	1.085	2	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	118.2814	0.496	30	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	O(NC[6a]O)	118.6003	1.825	4	118.2834	0.576	106	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|C<2>,1|H<1>,3|C<3>}	O(NC[6a]O)	118.8175	0.573	2	117.5946	1.134	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]N)(NOO){1|H<1>,1|O<2>,3|C<3>}	O(NC[6a]O)	117.1870	0.851	6	117.5946	1.134	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	O(NC[6a]O)	120.0333	1.318	4	120.0333	1.738	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){1|H<1>,3|C<3>}	O(NC[6a]O)	119.1670	0.461	2	118.5567	0.606	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)(C[6a]N[6a]N)(NOO){4|C<3>}	O(NC[6a]O)	117.9465	0.342	2	118.5567	0.606	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]2)2(NOO){2|H<1>,5|C<3>}	O(NC[6a]O)	117.8625	0.383	4	117.8625	0.147	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]As)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.0240	0.595	2	118.0240	0.354	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,1|F<1>,1|H<1>}	O(NC[6a]O)	117.1295	0.008	2	117.5482	0.201	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	117.7575	0.400	4	117.5482	0.201	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	119.4400	1.216	2	117.5553	0.835	92	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.7553	0.766	4	117.5553	0.835	92	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	117.5228	0.800	80	117.5553	0.835	92	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	117.6330	1.008	2	117.5553	0.835	92	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.0238	2.054	4	117.5553	0.835	92	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	117.4885	0.657	2	117.4885	0.432	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.6200	0.000	1	117.7315	1.579	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Br)2(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	116.8430	0.000	1	117.7315	1.579	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Br<1>,1|C<3>,1|H<1>}	O(NC[6a]O)	117.9582	0.801	6	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	O(NC[6a]O)	119.0264	1.527	10	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.2633	0.934	30	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	117.8277	0.463	8	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|F<1>,1|H<1>}	O(NC[6a]O)	118.3588	0.521	4	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	118.4080	0.911	10	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.0819	0.825	140	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.5397	0.754	50	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	O(NC[6a]O)	117.8731	0.226	10	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>}	O(NC[6a]O)	117.6140	0.603	12	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.3661	0.858	720	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	117.7407	0.746	180	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>}	O(NC[6a]O)	117.8010	0.600	2	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.0375	0.864	26	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.3561	0.824	78	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.7261	0.621	18	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){2|Br<1>,1|C<3>}	O(NC[6a]O)	117.7375	0.756	2	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NOO){2|Cl<1>,1|C<3>}	O(NC[6a]O)	117.8720	0.150	2	118.2249	0.750	1308	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.3280	0.031	2	118.3280	0.001	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.1305	0.172	2	117.4271	5.285	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	116.4095	5.774	2	117.4271	5.285	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.3835	0.153	2	117.4271	5.285	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.7850	0.537	2	117.4271	5.285	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.1660	1.000	2	118.1021	0.738	18	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.0662	0.996	12	118.1021	0.738	18	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.8490	0.314	2	118.1021	0.738	18	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NOO){2|Br<1>,1|C<3>}	O(NC[6a]O)	118.5065	0.248	2	118.1021	0.738	18	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]C)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.6840	1.038	2	118.6840	1.078	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	118.9175	0.213	4	118.9175	0.045	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.1803	0.602	4	117.9622	0.687	39	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|C<4>}	O(NC[6a]O)	118.4032	0.913	6	117.9622	0.687	39	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.2589	0.733	14	117.9622	0.687	39	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	117.3689	0.699	11	117.9622	0.687	39	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C)2(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.6753	0.853	4	117.9622	0.687	39	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(NC[6a]O)	118.7810	0.078	2	118.3222	0.649	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	O(NC[6a]O)	117.8635	1.049	2	118.3222	0.649	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(NC[6a]O)	118.6465	0.594	4	118.3806	0.963	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(NC[6a]O)	118.9255	0.153	4	118.3806	0.963	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	O(NC[6a]O)	116.7590	0.902	2	118.3806	0.963	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	O(NC[6a]O)	117.8598	0.422	4	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(NC[6a]O)	118.9800	0.725	2	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(NC[6a]O)	117.7290	0.109	2	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	O(NC[6a]O)	118.6388	0.543	6	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<4>,3|H<1>}	O(NC[6a]O)	118.0320	0.590	2	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	O(NC[6a]O)	117.9750	0.462	4	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	O(NC[6a]O)	118.0525	0.083	2	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	118.0445	1.701	2	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.4925	0.457	12	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.8185	0.203	8	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.2887	0.325	4	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	O(NC[6a]O)	118.3955	1.720	2	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	O(NC[6a]O)	118.6235	1.179	2	118.3942	0.390	52	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(NC[6a]O)	118.5312	0.630	10	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	O(NC[6a]O)	118.5475	0.507	4	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	O(NC[6a]O)	117.8585	0.598	2	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,1|S<2>,3|H<1>}	O(NC[6a]O)	118.4300	1.027	2	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	O(NC[6a]O)	118.3722	1.096	16	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|N<3>,3|H<1>}	O(NC[6a]O)	118.2935	0.739	2	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|O<2>,3|H<1>}	O(NC[6a]O)	118.5900	0.969	2	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,3|H<1>}	O(NC[6a]O)	118.4549	0.871	13	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	117.8574	0.766	14	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	O(NC[6a]O)	118.8225	1.165	4	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|H<1>,3|C<3>}	O(NC[6a]O)	117.9790	1.780	2	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	117.8137	0.246	4	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|O<2>,2|C<3>,3|H<1>}	O(NC[6a]O)	118.0115	0.818	6	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|C<3>,2|C<4>,2|H<1>}	O(NC[6a]O)	117.8758	0.373	6	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	117.9630	0.206	2	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	O(NC[6a]O)	117.7395	0.892	20	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){3|C<3>,3|H<1>}	O(NC[6a]O)	118.3127	1.366	40	118.1931	1.044	149	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]C[6])(C[6a]N[6a]H)(NOO){1|H<1>,3|C<3>}	O(NC[6a]O)	117.8635	0.434	4	117.8635	0.188	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.3952	0.745	6	117.3952	0.554	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|H<1>}	O(NC[6a]O)	117.9195	0.032	2	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.3297	0.908	10	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.1773	1.021	26	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.9635	0.978	2	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	O(NC[6a]O)	118.0460	0.833	4	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.7278	1.100	10	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>}	O(NC[6a]O)	117.4945	0.006	2	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	O(NC[6a]O)	117.5765	1.077	2	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.0530	1.110	50	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.3082	1.109	34	117.9606	1.246	142	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	117.3455	0.900	2	117.3113	1.092	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<2>,1|N<3>}	O(NC[6a]O)	117.2770	1.568	2	117.3113	1.092	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<2>,1|N<3>}	O(NC[6a]O)	117.8700	0.488	2	117.8700	0.238	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.2318	0.588	4	116.9705	0.435	16	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Cl)2(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	116.8834	0.683	12	116.9705	0.435	16	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	119.0300	0.376	2	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	117.5925	0.120	2	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	118.5289	0.788	14	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.2467	0.701	20	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.4290	0.219	2	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|S<4>}	O(NC[6a]O)	118.1900	1.393	2	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.9600	0.557	4	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.2173	0.811	4	118.3106	0.528	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(NOO){1|C<3>,1|F<1>,1|H<1>}	O(NC[6a]O)	118.7090	0.437	2	117.9772	0.986	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]F)2(NOO){1|C<3>,2|F<1>}	O(NC[6a]O)	117.2455	0.790	2	117.9772	0.986	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.6350	1.501	10	118.3603	2.926	15	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.5480	0.634	2	118.3603	2.926	15	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.1310	3.999	2	118.3603	2.926	15	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NOO){2|Cl<1>,1|C<3>}	O(NC[6a]O)	117.6970	0.000	1	118.3603	2.926	15	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.9914	0.758	16	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Br<1>,1|C<3>,1|N<3>}	O(NC[6a]O)	116.5725	1.873	2	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<2>,1|C<3>,1|H<1>}	O(NC[6a]O)	119.0618	0.686	8	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.9628	0.851	44	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	118.3470	1.405	6	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|F<1>,1|H<1>}	O(NC[6a]O)	118.0270	0.992	4	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|I<1>}	O(NC[6a]O)	119.5675	0.717	4	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.9479	0.662	611	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|N<4>}	O(NC[6a]O)	119.0532	0.675	17	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.4091	0.956	62	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|H<1>,1|S<4>}	O(NC[6a]O)	118.6709	0.644	14	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,1|N<3>,1|S<4>}	O(NC[6a]O)	117.9833	1.689	3	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|C<4>}	O(NC[6a]O)	119.1892	0.756	6	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.9088	0.935	329	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	118.1064	1.177	114	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.7134	1.045	30	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	O(NC[6a]O)	117.4310	0.119	2	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.8999	0.998	109	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|Ir<7>,1|C<3>,1|H<1>}	O(NC[6a]O)	117.8995	1.600	2	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	118.1450	1.041	12	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|O<2>,2|C<3>}	O(NC[6a]O)	117.7455	1.074	2	118.8173	0.803	1397	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<3>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.6116	1.474	8	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|As<4>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.9500	0.287	2	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Br<1>,2|C<3>}	O(NC[6a]O)	118.6700	0.489	6	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.9464	0.784	21	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	118.4402	0.799	13	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|O<2>}	O(NC[6a]O)	118.4190	1.216	2	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|C<4>,1|S<4>}	O(NC[6a]O)	118.7520	0.276	2	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|F<1>,1|H<1>}	O(NC[6a]O)	118.4135	0.073	2	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.2412	1.203	243	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.3201	1.077	22	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	118.1912	0.694	8	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.5820	1.107	64	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	118.2297	1.198	125	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<4>,2|C<3>}	O(NC[6a]O)	119.1148	0.890	18	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|C<4>}	O(NC[6a]O)	118.0450	2.225	2	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|Cl<1>,1|C<3>,1|N<3>}	O(NC[6a]O)	118.1885	1.303	4	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.6359	1.021	106	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	118.3466	1.078	70	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|O<2>,2|C<3>}	O(NC[6a]O)	119.0136	1.690	26	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){3|C<3>}	O(NC[6a]O)	118.6555	0.088	2	118.4195	1.344	746	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.8530	0.264	4	117.8530	0.070	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.2025	0.240	2	117.8134	0.704	474	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|I<1>}	O(NC[6a]O)	118.1580	0.274	2	117.8134	0.704	474	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.0808	1.053	60	117.8134	0.704	474	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.2658	0.762	12	117.8134	0.704	474	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.8473	0.792	340	117.8134	0.704	474	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	117.2127	0.582	56	117.8134	0.704	474	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	117.3945	1.138	2	117.8134	0.704	474	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	119.0830	1.340	4	119.0830	1.796	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|B<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.4820	0.668	4	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|Br<1>,1|B<3>,1|C<4>}	O(NC[6a]O)	118.3683	0.754	4	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<2>,1|C<3>}	O(NC[6a]O)	118.1035	0.333	2	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	117.8585	0.011	2	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|C<4>}	O(NC[6a]O)	118.5980	0.522	4	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.1800	0.882	2	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	118.2675	0.570	73	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>}	O(NC[6a]O)	118.1839	0.301	12	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NOO){1|C<3>,1|O<2>}	O(NC[6a]O)	118.3605	0.353	2	118.2717	0.293	105	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]I)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	117.5245	0.101	2	117.5245	0.010	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	119.1401	0.601	36	119.0342	0.374	44	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){1|C<3>,1|N<3>}	O(NC[6a]O)	118.5610	0.490	6	119.0342	0.374	44	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NOO){2|C<3>}	O(NC[6a]O)	118.5475	0.145	2	119.0342	0.374	44	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.4808	1.431	4	118.3669	0.922	26	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	118.0110	0.465	2	118.3669	0.922	26	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.5075	1.455	2	118.3669	0.922	26	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	118.2421	1.034	8	118.3669	0.922	26	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|N<3>}	O(NC[6a]O)	118.4173	1.012	4	118.3669	0.922	26	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.8782	0.676	4	118.3669	0.922	26	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NOO){1|C<4>,2|C<3>}	O(NC[6a]O)	117.7305	0.556	2	118.3669	0.922	26	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]S)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	118.3650	0.457	4	118.3650	0.209	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Au<4>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.4398	0.168	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|B<3>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.3247	0.583	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<2>,1|C<3>}	O(NC[6a]O)	118.2875	2.057	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.3827	0.286	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,1|C<3>,1|N<3>}	O(NC[6a]O)	117.9642	0.441	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Br<1>,2|C<3>}	O(NC[6a]O)	118.3402	1.461	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.2301	0.721	16	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<2>,1|C<3>,1|N<3>}	O(NC[6a]O)	118.0071	0.632	39	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	118.3640	0.796	482	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|N<3>}	O(NC[6a]O)	118.1017	0.758	131	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<4>,1|S<3>}	O(NC[6a]O)	118.5215	0.721	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|C<5>,1|H<1>}	O(NC[6a]O)	118.2590	1.037	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|F<1>,1|H<1>}	O(NC[6a]O)	118.4147	0.561	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|I<1>}	O(NC[6a]O)	118.5879	0.574	20	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<2>}	O(NC[6a]O)	118.4138	0.470	69	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.2413	0.629	1208	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|N<4>}	O(NC[6a]O)	118.2381	0.595	47	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	118.3866	0.496	95	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|P<4>}	O(NC[6a]O)	118.2358	0.508	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<2>}	O(NC[6a]O)	118.5873	0.451	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<3>}	O(NC[6a]O)	118.3275	0.787	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|H<1>,1|S<4>}	O(NC[6a]O)	118.0958	0.489	96	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|I<1>,1|N<3>}	O(NC[6a]O)	117.7420	0.617	32	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|I<1>,1|O<2>}	O(NC[6a]O)	118.8035	0.227	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|N<2>,1|N<3>}	O(NC[6a]O)	117.8342	0.502	8	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	117.6365	0.535	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|C<4>}	O(NC[6a]O)	118.3650	0.372	80	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.2804	0.714	6350	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|I<1>}	O(NC[6a]O)	118.2158	0.376	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	117.7574	0.659	538	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|O<2>}	O(NC[6a]O)	118.1483	0.340	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|S<2>}	O(NC[6a]O)	118.1972	0.492	14	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<4>,1|H<1>,1|N<2>}	O(NC[6a]O)	117.9870	0.836	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<4>,2|C<3>}	O(NC[6a]O)	118.4525	0.795	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.2741	0.575	172	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,1|C<3>,1|N<3>}	O(NC[6a]O)	117.9965	0.006	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Cl<1>,2|C<3>}	O(NC[6a]O)	118.4165	0.859	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.3966	0.577	1113	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|I<1>,2|C<3>}	O(NC[6a]O)	118.2630	0.786	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ir<6>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.8107	0.633	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ir<8>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.1825	0.047	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<2>,2|C<4>}	O(NC[6a]O)	117.0770	1.510	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	117.9104	0.624	1758	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|O<2>,2|C<3>}	O(NC[6a]O)	118.8042	0.245	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Pd<4>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.7078	0.715	16	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Rh<6>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.8432	0.190	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Rh<8>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.9095	1.945	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ru<6>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.0940	1.727	2	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|Ru<9>,1|C<3>,1|H<1>}	O(NC[6a]O)	118.8095	1.102	4	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){2|Br<1>,1|C<3>}	O(NC[6a]O)	117.6212	1.369	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){2|Cl<1>,1|C<3>}	O(NC[6a]O)	117.5368	0.525	6	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){3|C<3>}	O(NC[6a]O)	118.1875	0.565	100	118.2117	0.485	12498	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	117.7535	0.957	2	117.2377	0.411	7	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,1|H<1>,1|O<2>}	O(NC[6a]O)	117.3515	0.216	2	117.2377	0.411	7	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]I)2(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	116.8180	0.456	3	117.2377	0.411	7	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	117.0515	0.410	4	117.0587	0.580	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	117.0730	1.547	2	117.0587	0.580	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]C[6a]S)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.7705	0.245	2	118.7705	0.060	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	118.9513	0.422	6	118.9513	0.178	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.2384	1.659	8	119.2615	3.123	32	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	120.0992	1.353	20	119.2615	3.123	32	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|C<3>,2|O<2>}	O(NC[6a]O)	117.3830	0.201	2	119.2615	3.123	32	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N)2(NOO){1|Cl<1>,1|C<3>,1|O<2>}	O(NC[6a]O)	116.8550	1.302	2	119.2615	3.123	32	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(NC[6a]O)	118.4505	0.093	2	118.4505	0.009	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	117.8623	1.402	8	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	O(NC[6a]O)	118.4253	0.934	4	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	O(NC[6a]O)	117.7622	0.364	4	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|C<4>,2|C<3>,2|H<1>}	O(NC[6a]O)	118.1188	0.349	4	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(NC[6a]O)	117.9835	0.817	4	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	117.8367	0.897	14	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	O(NC[6a]O)	117.9660	0.070	4	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	118.2032	0.993	8	117.9852	0.783	50	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(NOO){1|N<2>,2|C<3>,2|N<3>}	O(NC[6a]O)	116.9145	0.964	4	116.9145	0.930	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	118.0205	1.223	2	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,3|C<3>}	O(NC[6a]O)	117.4377	0.981	4	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	117.4955	0.332	2	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(NC[6a]O)	117.4946	1.026	34	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,3|C<3>}	O(NC[6a]O)	118.0675	0.873	2	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	117.7512	1.131	32	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	O(NC[6a]O)	117.8632	0.518	6	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NOO){2|N<3>,3|C<3>}	O(NC[6a]O)	118.7283	1.767	6	117.7196	1.212	88	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<2>,2|C<3>,2|N<3>}	O(NC[6a]O)	117.7500	0.965	6	118.3259	1.885	16	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]N)(NOO){2|N<3>,3|C<3>}	O(NC[6a]O)	118.6714	1.507	10	118.3259	1.885	16	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[5a])2(NOO){2|N<2>,2|N<3>,3|C<3>}	O(NC[6a]O)	116.6287	0.562	14	116.6287	0.316	14	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	O(NC[6a]O)	117.8905	0.510	8	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(NC[6a]O)	118.4710	1.080	2	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|C<4>}	O(NC[6a]O)	118.0888	0.105	4	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,2|H<1>}	O(NC[6a]O)	119.1275	0.844	2	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	O(NC[6a]O)	118.0570	1.568	2	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|H<1>,3|C<3>}	O(NC[6a]O)	118.2380	0.892	2	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]O)	117.7570	1.051	4	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|O<2>,3|C<3>}	O(NC[6a]O)	117.8980	2.203	2	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,2|C<4>}	O(NC[6a]O)	117.5695	0.578	2	118.0439	0.715	28	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	117.4795	0.357	2	117.7332	0.139	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]O)	117.8600	0.353	4	117.7332	0.139	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.6013	0.560	8	118.5775	0.320	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	118.4825	0.814	2	118.5775	0.320	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	119.8047	1.449	4	118.6720	0.960	62	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.4902	0.816	46	118.6720	0.960	62	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|N<3>}	O(NC[6a]O)	118.9322	1.423	6	118.6720	0.960	62	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]O)2(NOO){1|C<3>,2|O<1>}	O(NC[6a]O)	119.0508	0.923	6	118.6720	0.960	62	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	117.5207	0.468	11	117.5207	0.219	11	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	117.9488	1.027	69	117.9488	1.054	69	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]S)(C[6a]N[6a]N)(NOO){1|C<2>,1|C<3>,1|C<4>}	O(NC[6a]O)	118.3910	0.471	2	118.3910	0.222	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.2963	0.497	8	118.2963	0.247	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a,6a]H)(C[6a]C[6a]H)(NOO){1|H<1>,2|C<3>}	O(NC[6a]O)	118.2158	0.822	6	118.2158	0.676	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[5a]N[6a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	O(NC[6a]O)	118.3945	0.153	2	118.3945	0.024	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	O(NC[6a]O)	117.8230	0.320	2	117.9875	0.104	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	O(NC[6a]O)	118.0590	0.158	2	117.9875	0.104	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]C[6])(C[6a]C[6a]H)(NOO){1|H<1>,3|C<3>}	O(NC[6a]O)	118.0340	0.420	4	117.9875	0.104	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>}	O(NC[6a]O)	117.4783	0.849	4	117.5204	0.799	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	117.5485	1.002	6	117.5204	0.799	10	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]N)(NOO){1|Cl<1>,1|N<2>}	O(NC[6a]O)	117.8053	1.829	4	117.8053	3.347	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]H)(NOO){1|C<3>}	O(NC[6a]O)	118.4485	1.172	20	118.4485	1.373	20	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]Cl)(C[6a]N[6a]N)(NOO){1|C<3>}	O(NC[6a]O)	119.0983	0.849	4	119.0983	0.720	4	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]O)	119.1730	1.987	2	118.8161	0.667	14	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)(C[6a]N[6a]O)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.7566	0.634	12	118.8161	0.667	14	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]H)2(NOO){1|C<3>}	O(NC[6a]O)	118.0337	0.372	7	118.0337	0.139	7	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|C<4>}	O(NC[6a]O)	118.5300	0.034	2	118.9774	0.420	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>,1|H<1>}	O(NC[6a]O)	118.6870	0.645	2	118.9774	0.420	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NOO){1|C<3>}	O(NC[6a]O)	119.3462	0.685	4	118.9774	0.420	8	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)(C[6a]N[6a]S)(NOO){1|C<3>}	O(NC[6a]O)	119.2875	0.289	2	119.2875	0.084	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N)2(NOO){1|C<3>}	O(NC[6a]O)	120.1380	0.761	6	120.1380	0.578	6	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<3>,2|C<4>}	O(NC[6a]O)	118.1330	0.291	2	118.1330	0.085	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]O)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]N[6a]O)2(NOO){1|C<3>}	O(NC[6a]O)	118.7830	0.277	2	118.7830	0.077	2	118.2544	0.647	18852	118.2504	0.660	19346	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO)	O(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NNO){2|H<1>,3|C<3>}	O(NC[6a]N)	116.6180	0.000	1	116.6180	0.000	1	116.6180	0.000	1	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	116.7195	0.575	4	116.7195	0.330	4	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NNO){1|C<3>,2|S<2>,3|H<1>}	O(NC[6a]N)	116.1460	0.000	1	116.1460	0.000	1	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	116.1700	0.000	1	116.1700	0.000	1	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	117.1175	0.663	10	117.1175	0.440	10	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]O)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a])(O)	C[6a](C[6a]C[6a]O)2(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	115.6205	0.268	2	115.6205	0.072	2	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]N)	118.2830	0.000	1	118.2830	0.000	1	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]N)	118.7110	0.000	1	119.3033	0.440	6	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	119.5685	0.671	4	119.3033	0.440	6	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NN)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|N<3>}	O(NC[6a]N)	118.8350	0.000	1	119.3033	0.440	6	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NO)(O)	C[6a](C[6a]C[6a]H)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NO)(O)	C[6a](C[6a]C[6a]H)2(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	118.5630	0.093	2	118.5630	0.009	2	117.5126	1.699	27	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	119.2460	0.000	1	118.5060	1.118	3	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OBa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	118.1360	1.189	2	118.5060	1.118	3	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OCa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OCa)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	118.3285	1.010	2	118.3285	1.021	2	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	119.3420	0.000	1	118.5226	0.743	5	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO){1|N<3>,2|C<3>}	O(NC[6a]O)	118.3178	0.843	4	118.5226	0.743	5	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OIr)(O)	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	121.8780	0.258	3	121.8780	0.066	3	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OLi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]O)	119.0530	0.095	2	119.0530	0.009	2	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(ONi)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	119.1370	0.000	1	119.1370	0.000	1	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(OPd)(O)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NOO){1|C<3>,1|N<3>,1|O<2>}	O(NC[6a]O)	124.3525	0.476	2	124.3525	0.226	2	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:3:3:	3:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(ORh)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	119.5290	0.000	1	119.5290	0.000	1	119.7842	4.452	19	118.4118	4.025	47	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:2:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO)	O(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O)	O(NC[6a]C[5])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]O){1|C<3>,2|H<1>}	O(NC[6a]C[5])	115.0240	0.000	1	115.0240	0.000	1	114.9090	0.026	2	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[5]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O)	O(NC[6a]C[5])	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	O(NC[6a]C[5])	114.7940	0.000	1	114.7940	0.000	1	114.9090	0.026	2	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	115.2340	0.777	6	115.2340	0.604	6	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	116.2275	0.165	2	116.2275	0.027	2	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	116.5893	0.380	3	116.5893	0.145	3	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	116.5610	0.000	2	116.5610	0.000	2	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	113.0920	0.000	1	113.0920	0.000	1	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]F)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]F)2(NCO){1|C<3>,2|F<1>}	O(NC[6a]C)	119.6860	0.000	1	119.6860	0.000	1	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	114.0398	0.827	9	114.0398	0.683	9	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	114.3450	0.000	1	114.3450	0.000	1	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	115.6672	0.496	9	115.5541	0.285	11	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|Cl<1>,1|C<3>,1|H<1>}	O(NC[6a]C)	115.0450	0.495	2	115.5541	0.285	11	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]C)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]C)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	115.3080	0.000	1	115.3080	0.000	1	115.3144	1.711	37	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[5]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O)	O(NC[6a]C[5])	N(C[6a]C[6a]2)(C[5]C[5]2)(O)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	O(NC[6a]C[5])	115.1810	0.000	1	115.1810	0.000	1	115.1810	0.000	1	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)2(NC[6]O)	O(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]C)2(NC[6]O){1|C<3>,2|H<1>}	O(NC[6a]C[6])	119.4567	0.411	4	119.4567	0.169	4	118.3612	2.633	11	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O)	O(NC[6a]C[6])	N(C[6a]C[6a]2)(C[6]C[6]2)(O)	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	O(NC[6a]C[6])	117.7351	1.745	7	117.7351	3.046	7	118.3612	2.633	11	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)2(NC[6a]O)	O(NC[6a]2)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)2(NC[6a]O){2|H<1>,5|C<3>}	O(NC[6a]2)	116.7385	0.773	2	116.7385	0.597	2	118.2031	2.765	8	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(NC[6a]O)	O(NC[6a]2)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(NC[6a]O){1|C<3>,2|H<1>}	O(NC[6a]2)	115.9120	0.000	1	115.9120	0.000	1	118.2031	2.765	8	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:C[6a]-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(NC[6a]O)	O(NC[6a]2)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|N<2>,2|H<1>}	O(NC[6a]2)	119.2472	0.971	5	119.2472	0.942	5	118.2031	2.765	8	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	120.1107	0.316	3	120.1107	0.100	3	120.3471	0.269	12	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]C)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]C)2(NNO){1|C<3>,2|C<4>}	O(NC[6a]N)	121.2670	0.000	1	121.2670	0.000	1	120.3471	0.269	12	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NNO){1|Cl<1>,1|C<3>,1|H<1>}	O(NC[6a]N)	120.9350	0.000	1	120.9350	0.000	1	120.3471	0.269	12	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]F)2(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]F)2(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	120.9190	0.000	1	120.9190	0.000	1	120.3471	0.269	12	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)(O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	119.9715	0.407	4	119.9715	0.165	4	120.3471	0.269	12	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:3:1:	3:3:3:	3:	C[6a]-3:N-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(NC[6a]Rh)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NNO)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]Rh)(O)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NNO){1|C<3>,2|H<1>}	O(NC[6a]N)	120.4130	0.000	2	120.4130	0.000	2	120.3471	0.269	12	116.9492	5.624	71	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	O(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	116.6510	0.109	2	116.4258	0.086	5	116.4258	0.086	5	116.4258	0.086	5	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	O(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|H<1>,2|C<3>}	O(NC[6a]C)	116.5990	0.000	1	116.4258	0.086	5	116.4258	0.086	5	116.4258	0.086	5	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:2:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:N[6a]-2:N-3:	N-3:	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	O(NC[6a]C)	N(C[6a]C[6a]N[6a])(CC3)(O)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|N<3>,2|C<3>}	O(NC[6a]C)	116.1140	0.083	2	116.4258	0.086	5	116.4258	0.086	5	116.4258	0.086	5	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a,6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a,6a]H)2(NCO){3|C<3>}	O(NC[6a]C)	117.3540	0.000	1	117.3540	0.000	1	116.1264	0.615	27	116.1264	0.615	27	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|H<1>,1|N<3>}	O(NC[6a]C)	116.1875	0.549	2	116.1875	0.302	2	116.1264	0.615	27	116.1264	0.615	27	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|C<4>}	O(NC[6a]C)	116.1230	1.239	3	116.0701	0.613	24	116.1264	0.615	27	116.1264	0.615	27	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)	116.5626	0.545	11	116.0701	0.613	24	116.1264	0.615	27	116.1264	0.615	27	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	O(NC[6a]C)	116.6700	0.000	1	116.0701	0.613	24	116.1264	0.615	27	116.1264	0.615	27	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP2_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	O(NC[6a]C)	115.3839	0.312	9	116.0701	0.613	24	116.1264	0.615	27	116.1264	0.615	27	118.2416	0.701	19535	118.2416	0.701	19535
956	643	863	0:SP3_SP2_SP2	N	C[6a]	O	3:1:1:	3:3:3:	3:	C[6a]-3:O-1:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)	128.9020	14.281	2	128.9020	203.939	2	128.9020	203.939	2	128.9020	203.939	2	121.1634	101.101	5	121.1634	101.101	5
956	643	863	0:SP3_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO)	O(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(CC3)(O)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCO){1|H<1>,1|O<2>,3|C<3>}	O(NC[6a]C)	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	116.0043	0.423	3	121.1634	101.101	5	121.1634	101.101	5
956	643	863	0:SP3_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|C<4>}	O(NC[6a]C)	116.1550	0.000	1	115.7235	0.372	2	115.7235	0.372	2	116.0043	0.423	3	121.1634	101.101	5	121.1634	101.101	5
956	643	863	0:SP3_SP2_SP2	N	C[6a]	O	3:4:1:	3:3:3:	3:	C[6a]-3:C-4:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)	N(C[6a]C[6a]2)(CC3)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|N<3>,2|C<3>}	O(NC[6a]C)	115.2920	0.000	1	115.7235	0.372	2	115.7235	0.372	2	116.0043	0.423	3	121.1634	101.101	5	121.1634	101.101	5