956	643	872	0:SP2_SP2_SP3	N	C[6a]	Si[3]	4:3:4:	3:3:3:	3:3:3:4:	Si[3]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[3]-3:C[3]-3:N-3:Si-4:	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	122.2110	0.000	1	122.2110	0.000	1	119.0095	20.499	2	119.0095	20.499	2	117.7438	12.435	4	117.7438	12.435	4
956	643	872	0:SP2_SP2_SP3	N	C[6a]	Si[3]	4:3:4:	3:3:3:	3:3:3:4:	Si[3]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[3]-3:C[3]-3:N-3:Si-4:	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3)	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3){4|C<3>}	115.8080	0.000	1	115.8080	0.000	1	119.0095	20.499	2	119.0095	20.499	2	117.7438	12.435	4	117.7438	12.435	4
956	643	872	0:SP2_SP2_SP3	N	C[6a]	Si[3]	4:3:4:	3:3:3:	4:4:3:4:	Si[3]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:C[3]-4:N-3:C-4:	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	116.4780	10.397	2	117.7438	12.435	4	117.7438	12.435	4
956	643	872	0:SP2_SP2_SP3	N	C[6a]	Si[3]	4:3:4:	3:3:3:	4:4:3:4:	Si[3]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:C[3]-4:N-3:Si-4:	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	118.7580	0.000	1	118.7580	0.000	1	118.7580	0.000	1	116.4780	10.397	2	117.7438	12.435	4	117.7438	12.435	4
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:2:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-2:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeC[5])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CCCH)3	N(C[6a]C[6a]2)(GeC[5])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CCCH)3	119.4980	0.000	1	119.4980	0.000	1	118.6552	3.198	5	118.2083	3.757	6	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:2:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-2:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeC[5])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(GeC[5])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	120.7910	0.000	1	120.7910	0.000	1	118.6552	3.198	5	118.2083	3.757	6	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:2:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-2:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeC[6])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CCCH)3	N(C[6a]C[6a]2)(GeC[6])(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CCCH)3	117.6623	1.511	3	117.6623	2.282	3	118.6552	3.198	5	118.2083	3.757	6	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:2:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-2:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiB[5a])(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiB[5a])(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	115.9740	0.000	1	115.9740	0.000	1	115.9740	0.000	1	118.2083	3.757	6	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Br-1:Br-1:Br-1:	N(C[6a]C[6a]2)(C[6]C[6]2)(SiBr3)	C[6a](C[6a]C[6a]C)2(NC[6]Si)	Si(NC[6a]C[6])(Br)3	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>}	Si(NC[6a]C[6])(Br)3	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	120.1020	3.370	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:P-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:Cl-1:	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSiP)	Si(NC[6a]P)(Cl)3	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	Si(NC[6a]P)(Cl)3	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	120.1020	3.370	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:3:1:1:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	C[6a](C[6a]C[6a]C)2(NSiC)	Si(NC[6a]C)(NCC)(Cl)2	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(NCC)(Cl)2	131.0910	0.000	1	131.0910	0.000	1	131.0910	0.000	1	131.0910	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:3:3:3:	C[5,6]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C[6a]-3:C-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)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCC)(NCC)	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>}	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCC)(NCC)	125.2350	0.000	1	125.2350	0.000	1	124.9515	0.161	2	124.9515	0.161	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:3:3:3:	C[5,6]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C[6a]-3:C-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)	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCH)(NCC)	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>}	Si(NC[5,6]C[6a])(C[6a]C[6a]2)(CCH)(NCC)	124.6680	0.000	1	124.6680	0.000	1	124.9515	0.161	2	124.9515	0.161	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:3:4:4:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:C-4:C-4:	N(C[6a]C[6a]2)2(SiN[6]CC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	Si(N[6]C[6]2)(NC[6a]2)(CH3)2	N(C[6a]C[6a]2)2(SiN[6]CC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	Si(N[6]C[6]2)(NC[6a]2)(CH3)2	120.9500	3.909	6	120.9500	15.277	6	120.9500	15.277	6	120.9500	15.277	6	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:P-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Si-4:H-1:H-1:	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	C[6a](C[6a]C[6a]C)2(NSiP)	Si(NC[6a]P)(SiH3)(H)2	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	Si(NC[6a]P)(SiH3)(H)2	117.7490	0.000	1	117.7490	0.000	1	117.7490	0.000	1	117.7490	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:2:2:	C[6a]-3:C[6]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-2:O-2:	N(C[6a]C[6a]2)(C[6]C[6]2)(SiCCO)	C[6a](C[6a]C[6a]H)2(NC[6]Si)	Si(NC[6a]C[6])(CH3)(CH)(OC)	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>}	Si(NC[6a]C[6])(CH3)(CH)(OC)	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:2:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:O-2:	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	C[6a](C[6a]C[6a]H)2(NSiC)	Si(NC[6a]C)(CC3)2(OC)	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CC3)2(OC)	129.4120	0.000	1	129.4120	0.000	1	129.4120	0.000	1	129.4120	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Si-4:Si-4:Si-4:	N(C[5]N[5]P[5])(C[6a]C[6a]2)(SiSi3)	C[6a](C[6a]C[6a]C)2(NC[5]Si)	Si(NC[6a]C[5])(SiC3)3	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>}	Si(NC[6a]C[5])(SiC3)3	124.0810	0.000	1	124.0810	0.000	1	124.0810	0.000	1	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:As-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(AsCl2)(SiC3)	C[6a](C[6a]C[6a]2)2(NAsSi)	Si(NC[6a]As)(CH3)3	N(C[6a]C[6a]2)(AsCl2)(SiC3)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	Si(NC[6a]As)(CH3)3	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	123.3930	0.000	1	123.3930	0.000	1	121.6483	2.960	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	120.7760	1.164	2	120.7760	1.355	2	121.6483	2.960	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeClNi)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CCCH)2(CHHP)	N(C[6a]C[6a]2)(GeClNi)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CCCH)2(CHHP)	121.0880	0.000	1	121.0880	0.000	1	121.7163	1.089	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeGeH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(GeGeH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	122.9210	0.000	1	122.9210	0.000	1	121.7163	1.089	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeNiO)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CCCH)2(CHHP)	N(C[6a]C[6a]2)(GeNiO)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CCCH)2(CHHP)	121.1400	0.000	1	121.1400	0.000	1	121.7163	1.089	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC[5]Cl)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC[5]Cl)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	115.9700	0.000	1	115.9700	0.000	1	116.9010	0.653	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC[5]P)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC[5]P)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	117.3140	0.000	1	117.3140	0.000	1	116.9010	0.653	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiNiN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiNiN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	117.4190	0.000	1	117.4190	0.000	1	116.9010	0.653	3	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:3:4:	3:3:3:	3:4:4:4:	Ge[4]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	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)	Si(NC[6a]Ge[4])(CH3)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){1|C<3>,2|H<1>}	Si(NC[6a]Ge[4])(CH3)3	122.3740	0.000	1	122.3740	0.000	1	122.3740	0.000	1	120.9207	7.431	12	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:H-1:	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	127.8430	0.000	1	127.8430	0.000	1	127.8430	0.000	1	127.8430	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:3:	C[6a]-3:Si-4:Ga-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi)	Si(C[6a]C[6a]2)3(NC[6a]Ga)	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>}	Si(C[6a]C[6a]2)3(NC[6a]Ga)	120.4900	0.000	1	120.4900	0.000	1	120.4900	0.000	1	128.0316	13.653	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:3:	C[6a]-3:Si-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:N-3:	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	Si(NC[6a]H)4	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	Si(NC[6a]H)4	129.2788	1.316	4	129.2788	1.732	4	129.2788	1.732	4	128.0316	13.653	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	Si(C[6a]C[6a]2)3(NC[6a]H)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)3(NC[6a]H)	131.7700	0.296	2	131.7700	0.087	2	128.6697	13.100	4	128.0316	13.653	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	Si(C[6a]C[6a]2)3(NC[6a]H)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)3(NC[6a]H)	125.5695	0.876	2	125.5695	0.768	2	128.6697	13.100	4	128.0316	13.653	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:4:	C[6a]-3:Si-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	130.0750	0.000	1	130.0750	0.000	1	130.0750	0.000	1	130.0750	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:C-4:	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	Si(NC[6a]H)2(CCCH)2	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	Si(NC[6a]H)2(CCCH)2	132.8890	0.367	3	132.8890	0.134	3	130.9354	4.231	7	130.9354	4.231	7	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:C-4:	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	Si(NC[6a]H)2(CH3)2	N(C[6a]C[6a]2)(SiCCN)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	Si(NC[6a]H)2(CH3)2	129.4702	1.301	4	129.4702	1.693	4	130.9354	4.231	7	130.9354	4.231	7	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:2:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:O-2:	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	Si(NC[6a]H)(CH3)2(OSi)	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	Si(NC[6a]H)(CH3)2(OSi)	125.1920	0.000	1	125.1920	0.000	1	125.1920	0.000	1	125.1920	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ga-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]2)2(NGaSi)	Si(NC[6a]Ga)(CH3)3	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]2)2(NGaSi){2|H<1>,5|C<3>}	Si(NC[6a]Ga)(CH3)3	127.5080	0.000	1	127.5080	0.000	1	124.5345	17.683	2	127.5191	30.555	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ga-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi)	Si(NC[6a]Ga)(CH3)3	N(C[6a]C[6a]2)(SiC3)(Ga)	C[6a](C[6a]C[6a]C)2(NGaSi){1|C<3>,2|H<1>}	Si(NC[6a]Ga)(CH3)3	121.5610	0.000	1	121.5610	0.000	1	124.5345	17.683	2	127.5191	30.555	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(Ge)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(Ge)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	118.4920	0.000	1	118.4920	0.000	1	118.4920	0.000	1	127.5191	30.555	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH)	Si(NC[6a]H)(CH3)3	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NSiH){1|C<3>,2|H<1>}	Si(NC[6a]H)(CH3)3	132.3260	0.175	2	132.3260	0.031	2	131.5890	3.994	5	127.5191	30.555	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	Si(NC[6a]H)(CSi2H)(CH3)2	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|C<4>}	Si(NC[6a]H)(CSi2H)(CH3)2	129.2040	0.000	1	131.0977	7.068	3	131.5890	3.994	5	127.5191	30.555	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	Si(NC[6a]H)(CSi2H)(CH3)2	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	Si(NC[6a]H)(CSi2H)(CH3)2	132.0445	2.959	2	131.0977	7.068	3	131.5890	3.994	5	127.5191	30.555	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:In-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(In)	C[6a](C[6a]C[6a]C)2(NInSi)	Si(NC[6a]In)(CH3)3	N(C[6a]C[6a]2)(SiC3)(In)	C[6a](C[6a]C[6a]C)2(NInSi){1|C<3>,2|H<1>}	Si(NC[6a]In)(CH3)3	122.1660	0.000	1	122.1660	0.000	1	122.1660	0.000	1	127.5191	30.555	9	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	4:3:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	Si(CN[5a]2H)(NC[6a]H)(CH3)2	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|H<1>}	Si(CN[5a]2H)(NC[6a]H)(CH3)2	130.8980	0.000	1	130.8980	0.000	1	130.8980	0.000	1	130.9810	0.014	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	4:3:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:C-4:C-4:	N(C[6a]C[6a]2)(SiC[5]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH)	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	N(C[6a]C[6a]2)(SiC[5]CC)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NSiH){2|H<1>,3|C<3>}	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	131.0640	0.000	1	131.0640	0.000	1	131.0640	0.000	1	130.9810	0.014	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:2:2:2:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-2:O-2:	N(C[6a]C[6a]2)(SiO3)(GeO)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(OC)3	N(C[6a]C[6a]2)(SiO3)(GeO)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(OC)3	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	117.0190	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:3:3:3:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(GeC[5])	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(C[6a]C[6a]2)3(NC[6a]Ge)	N(C[6a]C[6a]2)(SiC[6a]3)(GeC[5])	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)3(NC[6a]Ge)	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	116.4690	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeC)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CCCH)3	N(C[6a]C[6a]2)(SiC3)(GeC)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CCCH)3	120.6980	0.868	3	120.6980	0.754	3	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeC)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(GeC)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	119.3590	0.747	2	119.3590	0.558	2	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(GeCl)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	118.6115	0.142	2	118.6115	0.020	2	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeGe)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(GeGe)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	118.4330	0.000	1	118.4330	0.000	1	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeMo)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(GeMo)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	119.5385	6.954	2	119.5385	48.364	2	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(GeN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	119.9387	4.406	4	119.9387	19.417	4	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeN)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(GeN)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	115.4830	0.000	1	115.4830	0.000	1	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeO)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CCCH)3	N(C[6a]C[6a]2)(SiC3)(GeO)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CCCH)3	116.2810	0.000	1	116.2810	0.000	1	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:2:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Ge-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(GeZn)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(GeZn)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	118.9040	0.000	1	118.9040	0.000	1	119.1746	8.849	17	119.1746	8.849	17	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:2:3:	3:4:4:4:	C[6a]-3:Si-4:B-3:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]N[6a])(SiC3)(BHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NSiB)	Si(NC[6a]B)(CH3)3	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>}	Si(NC[6a]B)(CH3)3	116.2537	1.743	4	116.2537	3.038	4	116.2537	3.038	4	116.2537	3.038	4	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:1:1:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:Cl-1:	N(C[6a]C[6a]2)(SiCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NSiC)	Si(NC[6a]C)(Cl)3	N(C[6a]C[6a]2)(SiCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(Cl)3	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:2:2:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-2:H-1:	N(C[6a]C[6a]2)(SiHOO)(CCC)	C[6a](C[6a]C[6a]C)2(NSiC)	Si(NC[6a]C)(OSi)2(H)	N(C[6a]C[6a]2)(SiHOO)(CCC)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(OSi)2(H)	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:3:3:4:	C[6a]-3:Si-4:Ge-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBrNi)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBrNi)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	117.6630	0.000	1	117.6630	0.000	1	120.0230	4.761	3	120.0230	4.761	3	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:3:3:4:	C[6a]-3:Si-4:Ge-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiN)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiN)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	121.9670	0.000	1	121.9670	0.000	1	120.0230	4.761	3	120.0230	4.761	3	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:3:3:4:	C[6a]-3:Si-4:Ge-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiO)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeNiO)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	120.4390	0.000	1	120.4390	0.000	1	120.0230	4.761	3	120.0230	4.761	3	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:3:4:4:	C[6a]-3:Si-4:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-4:C-4:	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(NSiN)	Si(C[6a]C[6a]2)(NC[6a]N)(CH3)2	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(NSiN){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(NC[6a]N)(CH3)2	127.2130	0.662	2	127.2130	0.438	2	127.2130	0.438	2	127.2130	0.438	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:4:1:1:	C[6a]-3:Si-4:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Si-4:Cl-1:Cl-1:	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSiP)	Si(NC[6a]P)(SiCl3)(Cl)2	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	C[6a](C[6a]C[6a]C)2(NSiP){1|C<3>,2|H<1>}	Si(NC[6a]P)(SiCl3)(Cl)2	130.6760	0.000	1	130.6760	0.000	1	130.6760	0.000	1	130.6760	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:4:4:2:	C[6a]-3:Si-4:As-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:N-2:	N(C[6a]C[6a]2)(SiCCN)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi)	Si(NC[6a]As)(CH3)2(NN)	N(C[6a]C[6a]2)(SiCCN)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	Si(NC[6a]As)(CH3)2(NN)	121.4940	0.000	1	121.4940	0.000	1	121.4940	0.000	1	121.3625	0.035	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:4:4:2:	C[6a]-3:Si-4:As-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:O-2:	N(C[6a]C[6a]2)(SiCCO)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi)	Si(NC[6a]As)(CH3)2(OS)	N(C[6a]C[6a]2)(SiCCO)(AsClC)	C[6a](C[6a]C[6a]2)2(NAsSi){2|H<1>,5|C<3>}	Si(NC[6a]As)(CH3)2(OS)	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	121.3625	0.035	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(CNN)	C[6a](C[6a]C[6a]C)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(SiC3)(CNN)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	120.7990	1.406	2	120.7990	1.976	2	119.1483	9.162	3	119.8114	5.988	5	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(CNiN)	C[6a](C[6a]C[6a]C)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(SiC3)(CNiN)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	115.8470	0.000	1	115.8470	0.000	1	119.1483	9.162	3	119.8114	5.988	5	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:P-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(PCl2)	C[6a](C[6a]C[6a]2)2(NSiP)	Si(NC[6a]P)(CH3)3	N(C[6a]C[6a]2)(SiC3)(PCl2)	C[6a](C[6a]C[6a]2)2(NSiP){2|H<1>,5|C<3>}	Si(NC[6a]P)(CH3)3	121.8850	0.000	1	121.8850	0.000	1	121.8850	0.000	1	119.8114	5.988	5	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:3:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(SiHP)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC3)(SiHP)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	119.8114	5.988	5	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:1:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:Cl-1:Cl-1:	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(Cl)3	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(Cl)3	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:2:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:O-1:	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(OH)(O)2	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(OH)(O)2	117.1076	2.052	10	117.1076	4.209	10	117.1076	4.209	10	117.1076	4.209	10	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:2:2:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-2:O-1:	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(OH)2(O)	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(OH)2(O)	115.9090	1.745	4	115.9090	3.044	4	115.9090	3.044	4	115.9090	3.044	4	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:2:2:2:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-2:O-2:	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(OH)3	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(OH)3	116.7920	1.702	4	116.7920	2.897	4	116.7920	2.897	4	116.7920	2.897	4	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:3:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	B[5a]-3:N-3:H-1:H-1:	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	114.2240	0.000	1	114.2240	0.000	1	114.2240	0.000	1	118.7536	6.802	7	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:3:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	B[5a]-3:N-3:I-1:I-1:	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	120.5950	0.000	1	120.5950	0.000	1	120.5950	0.000	1	118.7536	6.802	7	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:3:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:Cl-1:H-1:	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(C[5]C[5]N[5])(NC[6a]Si)(Cl)(H)	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(C[5]C[5]N[5])(NC[6a]Si)(Cl)(H)	120.8900	0.000	1	120.8900	0.000	1	120.8900	0.000	1	118.7536	6.802	7	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:3:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:As-3:H-1:H-1:	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(AsNiH)(H)2	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(AsNiH)(H)2	119.0990	2.363	2	119.0990	5.584	2	119.0990	5.584	2	118.7536	6.802	7	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:3:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:P-3:H-1:H-1:	N(C[6a]C[6a]2)(SiHHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(PNiH)(H)2	N(C[6a]C[6a]2)(SiHHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(PNiH)(H)2	118.6840	2.551	2	118.6840	6.509	2	118.6840	6.509	2	118.7536	6.802	7	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:3:3:4:	C[6a]-3:Si-4:Ge-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBr2Ni)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	N(C[6a]C[6a]2)(SiC[6a]2C)(GeBr2Ni)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(NC[6a]Ge)(CHHP)	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	118.7150	0.701	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:3:3:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(C[6a]C[6a]2)2(NC[6a]Si)(CH3)	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(NC[6a]Si)(CH3)	118.1230	0.000	1	118.1230	0.000	1	118.1230	0.000	1	118.7150	0.701	2	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:P-4:H-1:H-1:	N(C[6a]C[6a]2)(SiHHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(PNi2P)(H)2	N(C[6a]C[6a]2)(SiHHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(PNi2P)(H)2	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:2:2:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:O-2:	N(C[6a]C[6a]2)(SiCOO)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)(OAl)2	N(C[6a]C[6a]2)(SiCOO)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)(OAl)2	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:3:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:Si-4:N-3:H-1:	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(SiSi3)(NHH)(H)	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(SiSi3)(NHH)(H)	113.5610	0.000	1	113.5610	0.000	1	113.5610	0.000	1	113.5610	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(CC[6a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	124.2410	0.000	1	124.2410	0.000	1	123.6858	3.789	6	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CErNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC)	Si(NC[6a]C)(CC3)(CH3)2	N(C[6a]C[6a]2)(CErNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CC3)(CH3)2	124.1440	0.000	1	124.1440	0.000	1	123.6858	3.789	6	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CErNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(CErNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	124.7940	0.000	1	124.7940	0.000	1	123.6858	3.789	6	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CNNY)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(CNNY)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	124.8600	0.000	1	124.8600	0.000	1	123.6858	3.789	6	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CYbNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC)	Si(NC[6a]C)(CC3)(CH3)2	N(C[6a]C[6a]2)(CYbNN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CC3)(CH3)2	124.3170	0.000	1	124.3170	0.000	1	123.6858	3.789	6	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:C-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(CZrCN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC)	Si(NC[6a]C)(CH3)3	N(C[6a]C[6a]2)(CZrCN)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	Si(NC[6a]C)(CH3)3	119.7590	0.000	1	119.7590	0.000	1	123.6858	3.789	6	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CCCH)3	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CCCH)3	122.1310	0.000	1	122.1310	0.000	1	123.2095	2.326	2	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Ge-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	Si(NC[6a]Ge)(CH3)3	124.2880	0.000	1	124.2880	0.000	1	123.2095	2.326	2	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	119.8365	1.358	2	119.8365	1.845	2	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiAsNiH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiAsNiH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	117.5260	0.000	1	117.5260	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	118.1260	0.000	1	118.1260	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	117.1080	0.000	1	117.1080	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC3)(SiO3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	119.1032	1.261	18	119.1032	1.589	18	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiCOO)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiCOO)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	116.5170	0.000	1	116.5170	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	117.9670	0.000	1	117.9670	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiClNiN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiClNiN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	114.6600	0.000	1	114.6600	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiHHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiHHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	119.7713	1.127	3	119.7713	1.271	3	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiNiHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiNiHH)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	116.9810	0.000	1	116.9810	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiNiHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiNiHP)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	119.0950	0.000	1	119.0950	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:4:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	116.1690	0.000	1	116.1690	0.000	1	118.6561	2.441	32	119.6382	6.452	40	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	3:7:4:	3:3:3:	3:4:4:4:	C[6a]-3:Si-7:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiTi3O3)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiTi3O3)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi2){1|C<3>,2|H<1>}	Si(NC[6a]Si)(CH3)3	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	118.7180	0.000	1	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Ge[4,4]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si)	Si(NGe[4,4]C[6a])(CH3)3	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si){1|C<3>,2|H<1>}	Si(NGe[4,4]C[6a])(CH3)3	120.1412	1.312	4	120.1412	1.721	4	120.2510	1.351	5	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Ge[4,4]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si)	Si(NGe[4,4]C[6a])(CH3)3	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si){1|C<3>,2|H<1>}	Si(NGe[4,4]C[6a])(CH3)3	120.6900	0.000	1	120.6900	0.000	1	120.2510	1.351	5	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Ge[5]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[5]Si)	Si(NC[6a]Ge[5])(CH3)3	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[5]Si){1|C<3>,2|H<1>}	Si(NC[6a]Ge[5])(CH3)3	121.6930	0.000	1	121.6930	0.000	1	121.6930	0.000	1	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Si[3]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	Si(NC[6a]Si[3])(CH3)3	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	Si(NC[6a]Si[3])(CH3)3	119.9480	0.000	1	119.9480	0.000	1	117.6935	2.920	4	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Si[3]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si)	Si(NC[6a]Si[3])(CH3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[3]Si){1|C<3>,2|H<1>}	Si(NC[6a]Si[3])(CH3)3	116.9420	0.996	3	116.9420	0.992	3	117.6935	2.920	4	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Si[4]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[4]Si)	Si(NC[6a]Si[4])(CH3)3	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[4]Si){1|C<3>,2|H<1>}	Si(NC[6a]Si[4])(CH3)3	120.7980	0.170	2	120.7980	0.029	2	120.7980	0.029	2	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Si[5]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[5]Si)	Si(NC[6a]Si[5])(CH3)3	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[5]Si){1|C<3>,2|H<1>}	Si(NC[6a]Si[5])(CH3)3	116.2950	0.000	1	116.2950	0.000	1	116.9695	0.910	2	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Si[5]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Si[5]O[5]2Ni)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[5]Si)	Si(NC[6a]Si[5])(CH3)3	N(Si[5]O[5]2Ni)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NSi[5]Si){1|C<3>,2|H<1>}	Si(NC[6a]Si[5])(CH3)3	117.6440	0.000	1	117.6440	0.000	1	116.9695	0.910	2	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP2_SP2_SP3	N	C[6a]	Si	4:3:4:	3:3:3:	3:4:4:4:	Si[6]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	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(NC[6a]Si[6])(CH3)3	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(NC[6a]Si[6])(CH3)3	114.8390	0.000	1	114.8390	0.000	1	114.8390	0.000	1	118.9397	4.927	15	120.9479	22.800	187	120.9479	22.800	187
956	643	880	0:SP3_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:H-1:	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	132.2800	0.000	1	132.2800	0.000	1	132.2800	0.000	1	132.2800	0.000	1	128.2610	6.114	5	128.2610	6.114	5
956	643	880	0:SP3_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:3:3:4:	C[6a]-3:Si-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH)	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NSiH){1|H<1>,1|N<3>,3|C<3>}	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	127.3100	0.000	1	127.3100	0.000	1	127.3100	0.000	1	127.3100	0.000	1	128.2610	6.114	5	128.2610	6.114	5
956	643	880	0:SP3_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:2:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:O-2:	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	Si(NC[6a]H)(CH3)2(OSi)	N(C[6a]C[6a]2)(SiCCO)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	Si(NC[6a]H)(CH3)2(OSi)	128.7220	0.000	1	128.7220	0.000	1	128.7220	0.000	1	128.7220	0.000	1	128.2610	6.114	5	128.2610	6.114	5
956	643	880	0:SP3_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)2(NSiH)	Si(NC[6a]H)(CCCH)2(CHHP)	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]C)2(NSiH){1|C<3>,2|H<1>}	Si(NC[6a]H)(CCCH)2(CHHP)	127.1890	0.000	1	127.1890	0.000	1	126.4965	0.959	2	126.4965	0.959	2	128.2610	6.114	5	128.2610	6.114	5
956	643	880	0:SP3_SP2_SP3	N	C[6a]	Si	3:4:1:	3:3:3:	3:4:4:4:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH)	Si(NC[6a]H)(CSi2H)(CH3)2	N(C[6a]C[6a]2)(SiC3)(H)	C[6a](C[6a]C[6a]H)2(NSiH){1|C<3>,2|C<4>}	Si(NC[6a]H)(CSi2H)(CH3)2	125.8040	0.000	1	125.8040	0.000	1	126.4965	0.959	2	126.4965	0.959	2	128.2610	6.114	5	128.2610	6.114	5
956	643	881	0:SP2_SP2_SPD5	N	C[6a]	Si[3,3]	5:3:3:	3:3:3:	5:2:2:3:3:	Si[3,3]-5:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	Si[3,3]-5:O[3]-2:O[3]-2:N-3:N-3:	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NSi[3,3]C)	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NSi[3,3]C){1|C<3>,2|H<1>}	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	137.0110	0.000	1	137.0110	0.000	1	137.0110	0.000	1	137.0110	0.000	1	137.0110	0.000	1	127.7900	66.652	3
956	643	881	0:SP2_SP2_SPD5	N	C[6a]	Si[3,4]	5:3:3:	3:3:3:	4:3:3:3:3:	Si[3,4]-5:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	C[3]-4:N[3]-3:N[4]-3:N[4]-3:N-3:	N(Si[3,4]C[3]N[3]N[4]2)(C[6a]C[6a]2)2	C[6a](NSi[3,4]C[6a])(C[6a]C[6a]H)2	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(NC[6a]2)	N(Si[3,4]C[3]N[3]N[4]2)(C[6a]C[6a]2)2	C[6a](NSi[3,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	Si[3,4](C[3]C[6a]N[3]H)(N[3]C[6a]C[3])(N[4]C[4]C)2(NC[6a]2){5|C<3>}	123.1795	2.401	2	123.1795	5.763	2	123.1795	5.763	2	123.1795	5.763	2	123.1795	5.763	2	127.7900	66.652	3
956	643	882	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P[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)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H)	P[4](N[4]P[4]C)2(NC[6a]H)	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NP[4]H){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a]H){1|N<3>}	131.2445	0.811	2	131.2445	0.658	2	129.1787	13.132	3	129.1787	13.132	3	124.6573	31.070	6	124.6573	31.070	6
956	643	882	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:P[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)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	P[4](N[4]P[4]C)2(NC[6a]H)	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a]H){1|N<3>}	125.0470	0.000	1	125.0470	0.000	1	129.1787	13.132	3	129.1787	13.132	3	124.6573	31.070	6	124.6573	31.070	6
956	643	882	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P[4]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	C[6a](C[6a]C[6a]H)2(NP[4]C)	P[4](N[4]P[4]C)2(NC[6a]C)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	C[6a](C[6a]C[6a]H)2(NP[4]C){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a]C){1|Cl<1>}	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	120.1360	3.217	3	124.6573	31.070	6	124.6573	31.070	6
956	643	882	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:P[4]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	C[6a](C[6a]C[6a]H)2(NP[4]P)	P[4](N[4]C[6a]P[4])2(NC[6a]P)	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	C[6a](C[6a]C[6a]H)2(NP[4]P){1|C<3>,2|H<1>}	P[4](N[4]C[6a]P[4])2(NC[6a]P){1|N<3>,4|C<3>}	121.1630	0.324	2	121.1630	0.105	2	121.1630	0.105	2	120.1360	3.217	3	124.6573	31.070	6	124.6573	31.070	6
956	643	887	0:SP2_SP2_SP3	N	C[6a]	S	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	S(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	S(NC[6a]H)(CC3)(O)	121.2660	2.446	3	121.2660	5.985	3	121.2660	5.985	3	121.2660	5.985	3	121.3115	3.998	4	121.3115	3.998	4
956	643	887	0:SP2_SP2_SP3	N	C[6a]	S	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(SC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NHS)	S(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(SC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	S(C[3x6]C[6,6]3)(NC[6a]H)(O)	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	121.3115	3.998	4	121.3115	3.998	4
956	643	887	0:SP3_SP2_SP3	N	C[6a]	S	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	S(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,1|H<1>,1|O<2>}	S(NC[6a]H)(CC3)(O)	120.6390	0.000	2	121.3260	1.303	4	121.3260	1.303	4	121.3260	1.303	4	121.3260	1.303	4	121.3260	1.303	4
956	643	887	0:SP3_SP2_SP3	N	C[6a]	S	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:S-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS)	S(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(SCO)(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	S(NC[6a]H)(CC3)(O)	122.0130	1.421	2	121.3260	1.303	4	121.3260	1.303	4	121.3260	1.303	4	121.3260	1.303	4	121.3260	1.303	4
956	643	892	0:SP2_SP2_SP3	N	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(NC[6a]2)(H)3	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	N(NC[6a]2)(H)3	112.4615	1.307	2	112.4615	1.709	2	112.4615	1.709	2	112.4615	1.709	2	113.3063	2.996	3	113.3063	2.996	3
956	643	892	0:SP2_SP2_SP3	N	C[6a]	N	3:4:1:	3:3:3:	3:1:1:1:	C[6a]-3:N-4:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN)	N(NC[6a]H)(H)3	N(C[6a]C[6a,6a]C[6a])(NH3)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NHN){1|H<1>,3|C<3>}	N(NC[6a]H)(H)3	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	113.3063	2.996	3	113.3063	2.996	3
956	643	892	0:SP3_SP2_SP3	N	C[6a]	N	3:3:4:	3:3:3:	3:1:1:1:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(NC[6a]2)(H)3	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	N(NC[6a]2)(H)3	111.3780	0.788	2	111.3780	0.620	2	111.3780	0.620	2	111.3780	0.620	2	114.1906	13.652	5	114.1906	13.652	5
956	643	892	0:SP3_SP2_SP3	N	C[6a]	N	3:4:1:	3:3:3:	3:1:1:1:	C[6a]-3:N-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(NHN)	N(NC[6a]H)(H)3	N(C[6a]C[6a]2)(NH3)(H)	C[6a](C[6a]C[6a]H)2(NHN){1|C<3>,2|H<1>}	N(NC[6a]H)(H)3	116.0657	3.716	3	116.0657	13.809	3	116.0657	13.809	3	116.0657	13.809	3	114.1906	13.652	5	114.1906	13.652	5
956	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:2:1:	3:2:3:	3:3:	C[6a]-3:O-2:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO)	O(NC[6a]H)(CCO)	N(C[6a]C[6a]N[6a])(OC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NHO){1|C<3>,2|H<1>}	O(NC[6a]H)(CCO)	110.4780	2.233	2	110.4780	4.986	2	110.4780	4.986	2	110.4780	4.986	2	111.6022	12.770	8	111.6022	12.770	8
956	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(CCO)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(CCO)	114.6265	0.200	2	114.6265	0.040	2	113.5150	2.518	5	113.5150	2.518	5	111.6022	12.770	8	111.6022	12.770	8
956	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(CCO)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]C)(CCO)	110.9100	0.000	1	112.7740	2.958	3	113.5150	2.518	5	113.5150	2.518	5	111.6022	12.770	8	111.6022	12.770	8
956	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(CCO)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(CCO)	113.7060	0.839	2	112.7740	2.958	3	113.5150	2.518	5	113.5150	2.518	5	111.6022	12.770	8	111.6022	12.770	8
956	643	893	0:SP2_SP2_SP2	N	C[6a]	O	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	B-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C[6a](C[6a]C[6a]H)2(NCO)	O(BC[6a]C)(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(BC[6a]C)(NC[6a]C)	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1	104.2870	0.000	1	111.6022	12.770	8	111.6022	12.770	8
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:2:1:	3:3:3:	3:1:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	O(NC[6a]H)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	O(NC[6a]H)(H)	111.6540	0.000	1	111.6540	0.000	1	117.3310	24.592	3	117.3187	7.635	8	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:2:1:	3:3:3:	3:1:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	O(NC[6a]H)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,1|O<1>,1|O<2>}	O(NC[6a]H)(H)	120.1695	0.917	2	120.1695	0.841	2	117.3310	24.592	3	117.3187	7.635	8	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:2:1:	3:3:3:	3:1:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)(H)	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)(H)	117.9830	0.000	1	117.3114	1.064	5	117.3114	1.064	5	117.3187	7.635	8	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:2:1:	3:3:3:	3:1:	C[6a]-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)(O)	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)(H)	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)(H)	117.1435	1.110	4	117.3114	1.064	5	117.3114	1.064	5	117.3187	7.635	8	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:2:2:	3:3:3:	3:1:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO)	O(NC[6a]O)(H)	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NOO){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	O(NC[6a]O)(H)	117.7475	0.087	2	117.7475	0.008	2	118.1665	0.246	6	118.1665	0.246	6	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:2:2:	3:3:3:	3:1:	C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(NOO)	O(NC[6a]O)(H)	N(C[6a]C[6a]2)(OH)2	C[6a](C[6a]C[6a]H)2(NOO){1|C<3>,2|H<1>}	O(NC[6a]O)(H)	118.3760	0.481	4	118.3760	0.232	4	118.1665	0.246	6	118.1665	0.246	6	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:2:3:	3:3:3:	4:3:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO)	O(C[6]C[6]O[6]H)(NC[6a]C)	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(NC[6a]C)	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	114.7160	0.000	1	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CCO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	112.6760	0.000	1	112.6760	0.000	1	114.3759	4.072	8	113.5882	6.135	10	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	113.8148	1.714	5	113.8148	2.939	5	114.3759	4.072	8	113.5882	6.135	10	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]C)2(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]C)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	115.5940	0.000	1	115.5940	0.000	1	114.3759	4.072	8	113.5882	6.135	10	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	117.6630	0.000	1	117.6630	0.000	1	114.3759	4.072	8	113.5882	6.135	10	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]O)	O(NC[6a]2)(H)	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(NC[6a]2)(H)	109.4640	0.000	1	109.4640	0.000	1	110.4375	1.895	2	113.5882	6.135	10	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(NC[6a]O)	O(NC[6a]2)(H)	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|C<3>,2|H<1>}	O(NC[6a]2)(H)	111.4110	0.000	1	111.4110	0.000	1	110.4375	1.895	2	113.5882	6.135	10	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	106.0930	0.574	7	106.0930	0.329	7	106.0930	0.329	7	106.4661	1.396	8	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6a](C[6a]C[6a]H)2(NC[6]O)	O(NC[6a]C[6])(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	O(NC[6a]C[6])(H)	109.0780	0.000	1	109.0780	0.000	1	109.0780	0.000	1	106.4661	1.396	8	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(CCHH)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(CCHH)	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	O(CC[6a]CH)(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(CC[6a]CH)(NC[6a]C)	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	109.2210	0.000	1	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP2_SP2_SP3	N	C[6a]	O	4:3:2:	3:3:3:	3:1:	C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5,6]O)	O(NC[5,6]C[6a])(H)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5,6]O){1|C<3>,2|H<1>}	O(NC[5,6]C[6a])(H)	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	109.4300	0.000	1	113.2577	23.419	36	113.2577	23.419	36
956	643	893	0:SP3_SP2_SP2	N	C[6a]	O	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(CCO)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(CCO)	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	107.0873	19.056	3	107.0873	19.056	3
956	643	893	0:SP3_SP2_SP2	N	C[6a]	O	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	B-3:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C[6a](C[6a]C[6a]H)2(NCO)	O(BC[6a]C)(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(OB)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(BC[6a]C)(NC[6a]C)	104.9200	3.151	2	104.9200	9.928	2	104.9200	9.928	2	104.9200	9.928	2	107.0873	19.056	3	107.0873	19.056	3
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:2:1:	3:3:3:	3:1:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO)	O(NC[6a]H)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NHO){1|H<1>,2|C<3>}	O(NC[6a]H)(H)	110.4065	3.434	2	110.4065	11.795	2	110.8127	6.393	3	110.8127	6.393	3	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:2:1:	3:3:3:	3:1:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO)	O(NC[6a]H)(H)	N(C[6a]C[6a]2)(OH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NHO){1|C<3>,2|N<3>}	O(NC[6a]H)(H)	111.6250	0.000	1	111.6250	0.000	1	110.8127	6.393	3	110.8127	6.393	3	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:2:1:	3:3:3:	3:4:	C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:	N(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(NHO)	O(NC[6a]H)(CCCH)	N(C[6a]C[6a]2)(OC)(H)	C[6a](C[6a]C[6a]H)2(NHO){1|C<3>,2|H<1>}	O(NC[6a]H)(CCCH)	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:2:3:	3:3:3:	4:3:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO)	O(C[6]C[6]O[6]H)(NC[6a]C)	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(C[6]C[6]O[6]H)(NC[6a]C)	116.1100	1.147	2	116.1100	1.315	2	116.1100	1.315	2	116.1100	1.315	2	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	114.7825	0.692	2	114.7825	0.479	2	114.7825	0.479	2	114.7825	0.479	2	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	3:4:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:	N(C[6a]C[6a]2)(CNO)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(CH3)	N(C[6a]C[6a]2)(CNO)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(CH3)	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:3:2:	3:3:3:	4:3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO)	O(C[5]C[5]N[5]H)(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO){1|Br<1>,1|C<3>,1|H<1>}	O(C[5]C[5]N[5]H)(NC[6a]C)	113.5890	0.000	1	113.5890	0.000	1	113.5890	0.000	1	113.5890	0.000	1	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:2:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:N[6a]-2:N-3:	N-3:H-1:	N(C[6a]C[6a]N[6a])(CC3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]N[6a])(CC3)(OH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	107.7910	0.000	1	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCO){2|H<1>,3|C<3>}	O(NC[6a]C)(H)	106.9877	0.224	3	106.9877	0.050	3	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]C)(H)	108.7080	3.319	3	107.1798	4.341	9	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	106.4157	0.662	6	107.1798	4.341	9	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,1|C<4>,1|H<1>}	O(NC[6a]C)(H)	106.8480	0.000	1	106.8480	0.000	1	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC3)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|H<1>,2|C<3>}	O(NC[6a]C)(H)	106.7640	0.000	1	106.7640	0.000	1	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CCCH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCCH)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	105.8380	0.000	1	105.8380	0.000	1	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]CC)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	107.8810	0.000	1	107.8810	0.000	1	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:1:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(H)	110.0260	0.000	1	110.0260	0.000	1	107.2316	2.848	17	107.2316	2.848	17	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	O(NC[6a]C)(CCHO)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(CCHO)	110.1930	0.000	1	110.1930	0.000	1	110.1930	0.000	1	109.4520	1.098	2	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	3:4:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:Si-4:	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO)	O(NC[6a]C)(SiC3)	N(C[6a]C[6a]2)(CC[6a]CH)(OSi)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCO){1|C<3>,2|H<1>}	O(NC[6a]C)(SiC3)	108.7110	0.000	1	108.7110	0.000	1	108.7110	0.000	1	109.4520	1.098	2	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	3:4:2:	3:3:3:	4:3:	C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO)	O(C[5]C[5]O[5]H)(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]CH)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	O(C[5]C[5]O[5]H)(NC[6a]C)	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	108.9260	0.000	1	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	4:3:2:	3:3:3:	3:1:	C[5,6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5,6]O)	O(NC[5,6]C[6a])(H)	N(C[5,6]C[5,5,6]C[5,6]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5,6]O){1|C<3>,2|H<1>}	O(NC[5,6]C[6a])(H)	107.9510	0.000	1	107.9510	0.000	1	107.9510	0.000	1	108.0495	0.234	4	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	4:3:2:	3:3:3:	3:1:	C[5]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5]O)	O(NC[6a]C[5])(H)	N(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(NC[5]O){1|C<3>,2|H<1>}	O(NC[6a]C[5])(H)	107.7510	0.178	2	107.7510	0.032	2	107.7510	0.032	2	108.0495	0.234	4	109.2869	10.498	35	109.2869	10.498	35
956	643	893	0:SP3_SP2_SP3	N	C[6a]	O	4:3:2:	3:3:3:	3:1:	C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]Br)2(NC[6]O)	O(NC[6a]C[6])(H)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]Br)2(NC[6]O){1|C<3>,2|H<1>}	O(NC[6a]C[6])(H)	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	108.0495	0.234	4	109.2869	10.498	35	109.2869	10.498	35
956	643	899	0:SP2_SP-NON_SP2	N	C[6a]	C	3:1:1:	3:3:3:	3:	C[6a]-3:C-1:C-1:	C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(C)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)	N(C[6a]C[6a]2)(C)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)	118.2077	4.800	6	118.2077	23.038	6	118.2077	23.038	6	118.2077	23.038	6	118.2077	23.038	6	118.2077	23.038	6
956	643	902	0:SP2_SP2_SP2	N	C[6a]	C[3]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[3]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3]-3:C[3]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H)	C[3](C[3]C[3]N)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[3]C[3]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[3]H){1|H<1>,1|N<3>,3|C<3>}	C[3](C[3]C[3]N)2(NC[6a]H)	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1	121.4560	0.000	1
956	643	907	0:SP2_SP2_SP3	N	C[6a]	Ge[4,4]	4:3:4:	3:3:3:	4:3:2:3:	Ge[4,4]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	Ge[4,4]-4:Ge[4]-3:Ge[4]-2:N-3:	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si)	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si)	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si){1|C<3>,2|H<1>}	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si){1|N<3>}	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	115.1440	0.000	1	116.9894	2.484	5	116.9894	2.484	5
956	643	907	0:SP2_SP2_SP3	N	C[6a]	Ge[4,4]	4:3:4:	3:3:3:	4:3:3:3:	Ge[4,4]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	Ge[4,4]-4:C[4]-3:C[4]-3:N-3:	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si)	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[6a]C[4])2(NC[6a]Si)	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si){1|C<3>,2|H<1>}	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[6a]C[4])2(NC[6a]Si){6|C<3>}	118.3990	1.377	2	118.3990	1.897	2	118.3990	1.897	2	118.3990	1.897	2	116.9894	2.484	5	116.9894	2.484	5
956	643	907	0:SP2_SP2_SP3	N	C[6a]	Ge[4,4]	4:3:4:	3:3:3:	4:4:4:3:	Ge[4,4]-4:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	Ge[4,4]-4:C[4]-4:C[4]-4:N-3:	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si)	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[4]HH)2(NC[6a]Si)	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	C[6a](C[6a]C[6a]C)2(NGe[4,4]Si){1|C<3>,2|H<1>}	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[4]HH)2(NC[6a]Si){4|H<1>}	116.5025	0.431	2	116.5025	0.185	2	116.5025	0.185	2	116.5025	0.185	2	116.9894	2.484	5	116.9894	2.484	5
956	643	909	0:SP2_SP2_SP2	N	C[6a]	S	3:2:1:	3:3:3:	3:2:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:	N(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS)	S(NC[6a]H)(SC[6a])	N(C[6a]C[6a]2)(SS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]S)(NHS){1|C<3>,2|F<1>}	S(NC[6a]H)(SC[6a])	124.0020	0.000	1	124.0020	0.000	1	124.0020	0.000	1	124.0020	0.000	1	122.8280	6.417	5	122.8280	6.417	5
956	643	909	0:SP2_SP2_SP2	N	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS)	S(C[6a]C[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a]H)	122.0320	0.000	1	122.0320	0.000	1	123.7983	2.388	3	123.7983	2.388	3	122.8280	6.417	5	122.8280	6.417	5
956	643	909	0:SP2_SP2_SP2	N	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS)	S(C[6a]C[6a]2)(NC[6a]H)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a]H)	124.9010	0.000	1	124.9010	0.000	1	123.7983	2.388	3	123.7983	2.388	3	122.8280	6.417	5	122.8280	6.417	5
956	643	909	0:SP2_SP2_SP2	N	C[6a]	S	3:2:1:	3:3:3:	3:3:	C[6a]-3:S-2:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS)	S(C[6a]C[6a]S[6a])(NC[6a]H)	N(C[6a]C[6a]2)(SC[6a])(H)	C[6a](C[6a]C[6a]H)2(NHS){1|C<3>,2|H<1>}	S(C[6a]C[6a]S[6a])(NC[6a]H)	124.4620	0.000	1	124.4620	0.000	1	123.7983	2.388	3	123.7983	2.388	3	122.8280	6.417	5	122.8280	6.417	5
956	643	909	0:SP2_SP2_SP2	N	C[6a]	S	3:4:2:	3:3:3:	3:3:	C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:	N(C[6a]C[6a]2)(CH3)(SC)	C[6a](C[6a]C[6a]H)2(NCS)	S(NC[6a]C)(CNO)	N(C[6a]C[6a]2)(CH3)(SC)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	S(NC[6a]C)(CNO)	118.7430	0.000	1	118.7430	0.000	1	118.7430	0.000	1	118.7430	0.000	1	122.8280	6.417	5	122.8280	6.417	5
956	643	909	0:SP2_SP2_SP3	N	C[6a]	S	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS)	S(NC[6a]C)(SS)	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	S(NC[6a]C)(SS)	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1
956	643	909	0:SP3_SP2_SP2	N	C[6a]	S	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS)	S(NC[6a]C)(SC)	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	S(NC[6a]C)(SC)	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1
956	643	909	0:SP3_SP2_SP3	N	C[6a]	S	3:4:2:	3:3:3:	3:2:	C[6a]-3:C-4:S-2:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS)	S(NC[6a]C)(SS)	N(C[6a]C[6a]2)(CH3)(SS)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	S(NC[6a]C)(SS)	121.0823	0.701	3	121.0823	0.491	3	121.0823	0.491	3	121.0823	0.491	3	121.0823	0.491	3	121.0823	0.491	3
956	643	910	0:SP2_SP-NON_SP2	N	C[6a]	Cl	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:Cl-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NClC)	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NClC){1|C<3>,2|H<1>}	Cl(C[6a]C[6a]2)(NC[6a]C)(O)2	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1	116.9570	0.000	1
956	643	917	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:O-1:	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	P[4](N[4]P[4]C)2(NC[6a]H)(O)	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a]H)(O){1|N<3>,1|O<1>}	126.3745	0.398	2	126.3745	0.158	2	127.2530	2.395	3	129.0268	4.981	6	129.3592	7.060	12	129.3592	7.060	12
956	643	917	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:O-1:	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	P[4](N[4]Si[4]C)2(NC[6a]H)(O)	N(C[6a]C[6a]2)(P[4]N[4]2O)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	P[4](N[4]Si[4]C)2(NC[6a]H)(O){2|C<4>}	129.0100	0.000	1	129.0100	0.000	1	127.2530	2.395	3	129.0268	4.981	6	129.3592	7.060	12	129.3592	7.060	12
956	643	917	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:S-1:	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	P[4](N[4]P[4]C)2(NC[6a]H)(S)	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|C<4>}	P[4](N[4]P[4]C)2(NC[6a]H)(S){1|N<3>,1|S<1>}	130.4970	0.826	2	130.8007	0.618	3	130.8007	0.618	3	129.0268	4.981	6	129.3592	7.060	12	129.3592	7.060	12
956	643	917	0:SP2_SP2_SP3	N	C[6a]	P[4]	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:S-1:	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	P[4](N[4]P[4]C)2(NC[6a]H)(S)	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a]H)(S){1|N<2>,1|S<1>}	131.4080	0.000	1	130.8007	0.618	3	130.8007	0.618	3	129.0268	4.981	6	129.3592	7.060	12	129.3592	7.060	12
956	643	917	0:SP2_SP2_SP3	N	C[6a]	P[4]	4:3:1:	3:3:3:	3:3:3:1:	P[4]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:Se-1:	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	P[4](N[4]P[4]C)2(NC[6a]H)(Se)	N(P[4]N[4]2Se)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a]H)(Se){1|Se<1>,1|N<3>}	129.6915	3.207	6	129.6915	10.285	6	129.6915	10.285	6	129.6915	10.285	6	129.3592	7.060	12	129.3592	7.060	12
956	643	917	0:SP3_SP2_SP3	N	C[6a]	P[4]	3:4:1:	3:3:3:	3:3:3:1:	C[6a]-3:P[4]-4:H-1:	C[6a]-3:C[6a]-3:N-3:	N[4]-3:N[4]-3:N-3:S-1:	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H)	P[4](N[4]P[4]C)2(NC[6a]H)(S)	N(C[6a]C[6a]2)(P[4]N[4]2S)(H)	C[6a](C[6a]C[6a]H)2(NP[4]H){1|C<3>,2|H<1>}	P[4](N[4]P[4]C)2(NC[6a]H)(S){1|N<3>,1|S<1>}	127.3125	3.300	2	127.3125	10.890	2	127.3125	10.890	2	127.3125	10.890	2	127.3125	10.890	2	127.3125	10.890	2
956	643	927	0:SP2_SP2_SP2	N	C[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-3:N-3:	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NB[6a]C[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2)	N(B[6a]C[6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NB[6a]C[6a]){1|C<3>,2|H<1>}	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6a]2){1|C<3>,2|H<1>}	119.3192	1.289	4	119.3192	1.661	4	119.3192	1.661	4	119.3192	1.661	4	119.3192	1.661	4	119.3192	1.661	4
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:2:3:	3:3:3:	3:3:2:	C[6a]-3:As-2:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(AsCl)(CNN)	C[6a](C[6a]C[6a]C)2(NAsC)	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(AsCl)(CNN)	C[6a](C[6a]C[6a]C)2(NAsC){1|C<3>,2|H<1>}	C(NC[6a]As)(NC[6]2)(NC[6a])	129.7860	0.000	1	129.7860	0.000	1	129.4615	0.211	2	129.4615	0.211	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:2:3:	3:3:3:	3:3:2:	C[6a]-3:As-2:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(AsN[6])(CNN)	C[6a](C[6a]C[6a]C)2(NAsC)	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(AsN[6])(CNN)	C[6a](C[6a]C[6a]C)2(NAsC){1|C<3>,2|H<1>}	C(NC[6a]As)(NC[6a]H)(NC[6a])	129.1370	0.000	1	129.1370	0.000	1	129.4615	0.211	2	129.4615	0.211	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO)	C(NC[6a]O)(CH3)(O)	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(CH3)(O)	126.1370	0.000	1	126.1370	0.000	1	126.1370	0.000	1	126.1370	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-2:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NS)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(NS)(O)	130.7105	0.719	2	130.7105	0.517	2	130.7105	0.517	2	130.7105	0.517	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.8773	2.210	3	129.8773	4.885	3	128.8503	7.476	4	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]N[6a]2)(CC[6a]O)(H)	C[6a](N[6a]C[6a])2(NCH){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	125.7690	0.000	1	125.7690	0.000	1	128.8503	7.476	4	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:C-3:H-1:	N(C[6a]N[6a]2)(CCH)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(CCN)(H)	N(C[6a]N[6a]2)(CCH)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CCN)(H)	124.5055	0.060	2	124.5055	0.004	2	124.5055	0.004	2	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH)	C(NC[6a]H)2(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>}	C(NC[6a]H)2(O)	132.1470	0.000	1	132.1470	0.000	1	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|C<4>,1|O<2>}	C(NC[6a]H)(NCH)(O)	129.8700	0.000	1	130.8950	2.639	3	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|N<3>,1|O<2>}	C(NC[6a]H)(NCH)(O)	130.0470	0.000	1	130.8950	2.639	3	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(NCH)(O)	132.7680	0.000	1	130.8950	2.639	3	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NHS)(O)	131.5815	0.620	2	130.4711	0.588	23	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(NHS)(O)	130.3849	0.513	14	130.4711	0.588	23	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<4>,1|N<2>,1|O<2>}	C(NC[6a]H)(NHS)(O)	129.8230	0.699	4	130.4711	0.588	23	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	C(NC[6a]H)(NHS)(O)	131.4430	1.185	2	130.4711	0.588	23	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a])2(NCH){1|N<2>,1|N<3>,1|O<2>}	C(NC[6a]H)(NHS)(O)	130.1070	0.000	1	130.4711	0.588	23	130.5803	0.817	27	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NCH)(S)	132.4450	0.455	3	131.2189	1.263	8	131.0542	1.350	9	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	130.6345	0.502	4	131.2189	1.263	8	131.0542	1.350	9	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|Cl<1>,1|C<3>,1|O<2>}	C(NC[6a]H)(NCH)(S)	129.8780	0.000	1	131.2189	1.263	8	131.0542	1.350	9	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]N[6a]2)(CNS)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NHH)(S)	129.7370	0.000	1	129.7370	0.000	1	131.0542	1.350	9	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]N[6a]S[6a])(CC[6a]O)(H)	C[6a](N[6a]C[5a,6a])(S[6a]C[6a])(NCH){1|C<3>,1|O<1>,1|S<2>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.8020	0.000	1	124.8020	0.000	1	124.8020	0.000	1	130.1016	3.948	43	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:N-3:	N(C[6a]N[6a]2)(CNN)(H)	C[6a](N[6a]N[6a])2(NCH)	C(NC[6a]H)(NHH)2	N(C[6a]N[6a]2)(CNN)(H)	C[6a](N[6a]N[6a])2(NCH){1|C<3>}	C(NC[6a]H)(NHH)2	127.3210	0.000	1	127.3210	0.000	1	127.3210	0.000	1	127.3210	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(CCHH)(O)	131.3270	0.000	1	131.3270	0.000	1	130.5600	1.177	2	130.5600	1.177	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(NC[6a]H)(CCHO)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(CCHO)(O)	129.7930	0.000	1	129.7930	0.000	1	130.5600	1.177	2	130.5600	1.177	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C-4:N-3:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|O<2>}	C(CC[6a]HH)(NC[6a]H)(O)	132.2380	0.000	1	132.2380	0.000	1	132.2380	0.000	1	129.1725	18.795	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C[6a](N[6a]C[6a])2(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]N[6a]2)(CC[3x6]O)(H)	C[6a](N[6a]C[6a])2(NCH){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	126.1070	0.000	1	126.1070	0.000	1	126.1070	0.000	1	129.1725	18.795	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	128.5675	1.128	2	128.6697	0.667	3	128.6697	0.667	3	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	128.8740	0.000	1	128.6697	0.667	3	128.6697	0.667	3	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	124.0510	0.000	1	124.0510	0.000	1	124.0510	0.000	1	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.1270	0.000	1	128.7716	2.015	5	128.9153	1.736	6	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.5280	1.484	2	128.7716	2.015	5	128.9153	1.736	6	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.8375	0.606	2	128.7716	2.015	5	128.9153	1.736	6	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.6340	0.000	1	129.6340	0.000	1	128.9153	1.736	6	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]H)(NCH)(O)	129.9320	0.000	1	129.9320	0.000	1	130.6642	0.412	6	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)2(O)	130.8106	0.595	5	130.8106	0.354	5	130.6642	0.412	6	129.2211	3.518	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NHH)2	128.4840	0.000	1	128.4840	0.000	1	128.4840	0.000	1	128.4840	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CC3)(O)	127.5210	0.000	1	127.5210	0.000	1	128.8127	1.321	19	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CClHH)(O)	130.2050	1.560	4	130.2050	2.434	4	128.8127	1.321	19	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	129.0125	0.497	4	129.0125	0.247	4	128.8127	1.321	19	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]H)(CC3)(O)	128.5880	0.000	1	128.5880	0.000	1	128.8127	1.321	19	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]H)(CH3)(O)	128.2736	0.661	9	128.2736	0.436	9	128.8127	1.321	19	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	C(NC[6a]H)(CCCH)(O)	127.9430	0.000	1	127.2907	0.340	3	127.2144	0.264	10	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	C(NC[6a]H)(CCCH)(O)	126.9645	0.206	2	127.2907	0.340	3	127.2144	0.264	10	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	C(NC[6a]H)(CH3)(O)	127.0210	0.000	1	127.2883	0.265	3	127.2144	0.264	10	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	C(NC[6a]H)(CH3)(O)	127.4220	0.651	2	127.2883	0.265	3	127.2144	0.264	10	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,1|O<1>}	C(NC[6a]H)(CC3)(O)	127.4260	0.092	2	127.4260	0.008	2	127.2144	0.264	10	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<1>}	C(NC[6a]H)(CC3)(O)	126.7775	0.808	2	126.7775	0.653	2	127.2144	0.264	10	128.2616	1.532	29	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	2:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	129.1885	0.596	2	129.1885	0.355	2	129.1885	0.355	2	129.1885	0.355	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a,6a]N[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)(H)(O)	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	124.6000	0.265	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]N[6a])(CHO)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]N[6a])(CHO)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	124.2360	0.000	1	124.2360	0.000	1	124.2360	0.000	1	124.6000	0.265	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NC[6a])(H)	122.4280	0.000	1	123.3768	0.403	4	123.3768	0.403	4	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]N[6a])(CHN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	123.6930	0.064	3	123.3768	0.403	4	123.3768	0.403	4	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(O)	131.7380	0.000	1	131.7380	0.000	1	131.7380	0.000	1	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC)(O)	126.2925	0.609	2	126.5912	0.911	12	126.6060	0.724	15	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(OC)(O)	126.2215	1.187	2	126.5912	0.911	12	126.6060	0.724	15	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(OC)(O)	126.7583	1.040	8	126.5912	0.911	12	126.6060	0.724	15	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]N[6a])(COO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6a])(O)	126.6653	0.222	3	126.6653	0.049	3	126.6060	0.724	15	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]N[6a])(COS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]N[6a])(COS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(S)	123.0480	0.874	2	123.0480	0.764	2	123.0480	0.764	2	125.9287	4.542	22	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(SCu)(NN)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCu)(NN)	128.9540	0.000	1	128.9540	0.000	1	129.2285	0.151	2	129.2285	0.151	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(SPd)(NP)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SPd)(NP)	129.5030	0.000	1	129.5030	0.000	1	129.2285	0.151	2	129.2285	0.151	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.2940	0.000	1	127.2940	0.000	1	127.2940	0.000	1	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.1035	1.826	2	127.3670	6.904	6	127.3670	6.904	6	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.4988	3.213	4	127.3670	6.904	6	127.3670	6.904	6	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	C(NC[6a]H)2(O)	131.4990	0.000	1	131.4990	0.000	1	131.4990	0.000	1	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	120.7905	0.033	2	120.7905	0.001	2	120.7905	0.001	2	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(CC[6a]C[5])(NC[6a]H)(S)	N(C[6a]C[6a]N[6a])(CCS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(CC[6a]C[5])(NC[6a]H)(S)	131.8170	0.091	2	131.8170	0.008	2	131.8170	0.008	2	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[5]C[5]2)(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(H)	127.9480	0.041	2	127.9480	0.002	2	127.9480	0.002	2	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	126.4110	0.000	1	126.4110	0.000	1	126.3790	0.002	2	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5a]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	126.3470	0.000	1	126.3470	0.000	1	126.3790	0.002	2	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	125.3630	0.000	1	124.8905	0.447	2	125.4894	0.418	5	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	124.4180	0.000	1	124.8905	0.447	2	125.4894	0.418	5	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	125.7470	0.000	1	125.7470	0.000	1	125.4894	0.418	5	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]N[6a])(CC[6]H)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	125.9595	0.001	2	125.9595	0.000	2	125.4894	0.418	5	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	128.0287	1.165	19	128.0287	1.356	19	128.0287	1.356	19	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	128.0300	0.426	4	128.0300	0.182	4	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	126.7460	0.352	2	126.7460	0.124	2	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.9028	0.828	11	127.0833	1.373	90	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.2967	0.959	31	127.0833	1.373	90	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.9565	1.316	44	127.0833	1.373	90	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.2460	0.345	3	127.0833	1.373	90	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.5410	0.000	1	127.0833	1.373	90	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.1330	0.000	1	128.3328	1.754	42	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.6485	0.456	2	128.3328	1.754	42	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.2375	1.120	10	128.3328	1.754	42	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.8807	1.742	3	128.3328	1.754	42	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.7626	1.136	25	128.3328	1.754	42	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|O<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	130.4650	0.000	1	128.3328	1.754	42	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.1830	0.000	1	127.1830	0.000	1	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.9930	0.000	1	128.9930	0.000	1	127.4947	1.756	140	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CCC)(H)	125.2970	0.000	1	125.2970	0.000	1	123.9275	0.805	6	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHN)(H)	N(C[6a]C[6a]N[6a])(CCH)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CHN)(H)	123.6536	0.666	5	123.6536	0.443	5	123.9275	0.805	6	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(O)	128.0740	0.000	1	127.8180	0.131	2	128.3070	0.933	13	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,2|O<2>}	C(NC[6a]H)(CCC)(O)	127.5620	0.000	1	127.8180	0.131	2	128.3070	0.933	13	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCH)(O)	128.5320	0.864	2	128.5320	0.747	2	128.3070	0.933	13	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CNN)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNN)(O)	128.2095	0.977	4	128.2095	0.954	4	128.3070	0.933	13	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	127.6730	0.906	3	127.6730	0.820	3	128.3070	0.933	13	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	129.7170	0.126	2	129.7170	0.016	2	128.3070	0.933	13	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	127.3820	0.000	1	127.3820	0.000	1	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCC)(O)	122.9540	0.000	1	123.1070	0.047	2	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCC)(O)	123.2600	0.000	1	123.1070	0.047	2	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NCH)(O)	128.8075	2.481	2	129.0384	3.662	5	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	130.3695	0.018	2	129.0384	3.662	5	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C(NC[6a]H)(NCH)(O)	126.8380	0.000	1	129.0384	3.662	5	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(O)	130.3690	0.000	1	130.3690	0.000	1	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)2(O)	129.7270	1.817	2	130.9174	0.939	9	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	131.2576	0.308	7	130.9174	0.939	9	129.3008	7.507	18	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	123.7750	1.198	2	123.7750	1.435	2	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NCH)(S)	132.2838	0.581	11	131.6841	1.094	20	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NCH)(S)	129.8775	0.009	2	131.6841	1.094	20	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	131.2577	0.971	7	131.6841	1.094	20	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(S)	129.5830	0.259	2	129.5830	0.067	2	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(S)	129.9720	0.000	1	129.9720	0.000	1	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]H)(NHP)(S)	131.1633	0.508	6	130.9990	0.404	7	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHP)(S)	130.0130	0.000	1	130.9990	0.404	7	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	130.8642	1.172	5	130.8642	1.375	5	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	122.9420	0.710	2	122.9420	0.504	2	130.4504	7.045	39	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CN[6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	127.3670	0.165	2	127.3670	0.027	2	127.3670	0.027	2	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[5a,6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH)	C(NC[6a]H)2(O)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(NCH){2|C<3>,2|N<2>}	C(NC[6a]H)2(O)	128.4250	0.655	2	128.4250	0.429	2	128.4250	0.429	2	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	C(NC[6a]H)(NCH)(O)	125.3429	0.437	10	125.3429	0.191	10	125.3355	0.172	11	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:1:	C[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)2(O)	N(C[6a]N[6a]2)(CNO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|O<1>}	C(NC[6a]H)2(O)	125.2620	0.000	1	125.2620	0.000	1	125.3355	0.172	11	127.9075	5.113	271	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	135.9181	2.057	7	135.9181	4.231	7	135.9181	4.231	7	134.1888	10.618	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(NC)	130.0340	0.000	1	130.0340	0.000	1	130.0340	0.000	1	134.1888	10.618	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]N[6a])(CNS)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(SCu)	130.2135	0.607	2	130.2135	0.369	2	130.2135	0.369	2	134.1888	10.618	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:C-3:	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(CC[6a]O)(NC[6a]H)(CCC)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(NC[6a]H)(CCC)	128.5530	0.000	1	127.5437	0.764	3	127.5437	0.764	3	128.0138	1.418	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-3:N-3:C-3:	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(CC[6a]O)(NC[6a]H)(CCC)	N(C[6a]C[6a]N[6a])(CCC)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(CCC)	127.0390	0.000	2	127.5437	0.764	3	127.5437	0.764	3	128.0138	1.418	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	N(C[6a]C[6a]N[6a])(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(NC[6a]H)	129.6245	2.213	2	129.6245	4.895	2	129.6245	4.895	2	128.0138	1.418	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	127.5200	0.000	1	127.5200	0.000	1	127.5200	0.000	1	128.0138	1.418	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)2	129.1560	0.112	2	129.1560	0.012	2	127.8821	0.953	10	128.0138	1.418	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]N[6a])(CNN)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NHH)	127.5636	0.803	8	127.5636	0.644	8	127.8821	0.953	10	128.0138	1.418	16	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHH)(O)	127.9960	0.000	1	127.9960	0.000	1	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	132.4945	0.754	2	132.4945	0.569	2	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CH3)(O)	132.5210	0.000	1	132.5210	0.000	1	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]C[6])(N[6a]C[6a])(NCH){1|C<3>,2|N<3>,3|H<1>}	C(NC[6a]H)(CC3)(O)	126.0260	0.000	1	126.0260	0.000	1	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CC3)(O)	128.3154	0.883	8	127.4532	2.241	17	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CC3)(O)	127.9280	1.417	2	127.4532	2.241	17	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|P<4>}	C(NC[6a]H)(CC3)(O)	127.9660	0.000	1	127.4532	2.241	17	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC3)(O)	126.0598	1.420	6	127.4532	2.241	17	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(O)	128.2870	0.000	1	128.2385	0.005	2	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCCH)(O)	128.1900	0.000	1	128.2385	0.005	2	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCHH)(O)	128.2816	2.326	14	128.1773	2.970	28	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	128.3580	0.584	8	128.1773	2.970	28	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|Cl<1>,1|N<2>,1|S<2>}	C(NC[6a]H)(CCHH)(O)	125.8020	0.000	1	128.1773	2.970	28	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C(NC[6a]H)(CCHH)(O)	128.1980	0.000	1	128.1773	2.970	28	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHH)(O)	128.3107	0.469	3	128.1773	2.970	28	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|N<2>,1|O<2>,1|S<2>}	C(NC[6a]H)(CCHH)(O)	127.2260	0.000	1	128.1773	2.970	28	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHN)(O)	127.3413	1.521	4	127.3413	2.312	4	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CCHO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHO)(O)	127.7400	0.387	2	127.7400	0.150	2	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|S<2>}	C(NC[6a]H)(CClHH)(O)	128.2790	0.000	1	128.2790	0.000	1	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	128.4778	0.480	8	128.0683	0.660	37	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	127.7154	0.637	10	128.0683	0.660	37	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	127.9643	0.836	16	128.0683	0.660	37	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,1|N<3>,1|O<1>}	C(NC[6a]H)(CH3)(O)	127.7600	0.000	1	128.0683	0.660	37	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CH3)(O)	129.1815	1.628	2	128.0683	0.660	37	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CHHO)(O)	129.9210	0.000	1	128.0275	0.944	11	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CHHO)(O)	127.6697	0.454	8	128.0275	0.944	11	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CHHO)(O)	129.7210	0.000	1	128.0275	0.944	11	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	127.3030	0.000	1	128.0275	0.944	11	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CHHS)(O)	127.7080	0.861	2	128.0668	0.851	4	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|S<2>}	C(NC[6a]H)(CHHS)(O)	127.6200	0.000	1	128.0668	0.851	4	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHS)(O)	129.2310	0.000	1	128.0668	0.851	4	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	122.4878	1.093	4	122.4878	1.195	4	127.8770	3.121	115	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:1:	C[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]N[6a]2)(CCO)(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|N<3>,1|O<1>}	C(NC[6a]H)(CC3)(O)	126.3170	0.136	2	126.3170	0.018	2	126.3170	0.018	2	127.8503	3.108	117	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:N-2:	N(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH)	C(NC[6a]H)(CH3)(NO)	N(C[6a]C[6a]N[6a])(CCN)(H)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(NO)	130.2850	0.079	2	130.2850	0.006	2	130.2850	0.006	2	130.2850	0.006	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	127.1835	0.424	2	127.1835	0.179	2	127.6328	2.350	11	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(CN[5a]CH)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<2>,1|C<3>,1|H<1>}	C(CN[5a]CH)(NC[6a]H)(O)	125.3995	2.278	2	127.2323	3.477	6	127.6328	2.350	11	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(CN[5a]CH)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|H<1>,2|C<3>}	C(CN[5a]CH)(NC[6a]H)(O)	128.1488	0.840	4	127.2323	3.477	6	127.6328	2.350	11	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(CN[6]HH)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(CN[6]HH)(NC[6a]H)(O)	129.0850	0.438	2	129.0850	0.192	2	127.6328	2.350	11	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	128.0300	0.000	1	128.0300	0.000	1	127.6328	2.350	11	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NCH){1|N<2>,2|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	123.5220	0.000	1	123.5220	0.000	1	126.2320	6.260	3	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	127.5870	1.226	2	127.5870	1.503	2	126.2320	6.260	3	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	127.4320	0.607	2	127.4320	0.368	2	127.6120	0.281	3	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[3x6]O)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	127.9720	0.000	1	127.9720	0.000	1	127.6120	0.281	3	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5,6]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(NC[6a]H)(O)	126.7770	0.000	1	126.7770	0.000	1	126.7770	0.000	1	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[5]C[5]2Co)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Co)(NC[6a]H)(O)	128.7790	0.000	1	128.7790	0.000	1	127.5553	1.084	13	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]2Fe)(NC[6a]H)(O)	126.8980	0.000	1	126.8980	0.000	1	127.5553	1.084	13	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.6070	0.000	1	127.5038	1.105	11	127.5553	1.084	13	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.4935	1.107	10	127.5038	1.105	11	127.5553	1.084	13	127.4351	1.836	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a,6a]C[6a])(CHO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(H)(O)	124.6930	0.000	1	124.6930	0.000	1	124.6930	0.000	1	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-1:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(C)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(C)(O)	126.3190	0.000	1	126.3190	0.000	1	126.3190	0.000	1	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	121.4100	0.000	1	121.4100	0.000	1	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	127.0620	1.642	3	127.0620	2.698	3	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	123.9760	0.461	5	123.9760	0.213	5	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(NC[6a]H)(H)(O)	128.7960	0.000	1	128.7960	0.000	1	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	123.3885	0.066	2	123.3885	0.004	2	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	123.2217	0.701	3	123.2217	0.491	3	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	124.2215	1.664	2	124.2215	2.768	2	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(H)(O)	126.5930	0.000	1	127.6963	1.280	3	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	128.2480	0.857	2	127.6963	1.280	3	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(H)(O)	127.0890	0.000	1	127.5412	2.510	21	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(H)(O)	128.1130	0.000	1	127.5412	2.510	21	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(O)	127.3643	1.528	18	127.5412	2.510	21	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(H)(O)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(H)(O)	130.6070	0.000	1	127.5412	2.510	21	126.2832	5.347	41	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:S-1:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	C(NC[6a]H)(H)(S)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(S)	122.8880	0.000	1	122.8880	0.000	1	124.4890	2.697	5	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:S-1:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(H)(S)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(S)	125.6180	2.082	2	125.6180	4.334	2	124.4890	2.697	5	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:S-1:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(H)(S)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(S)	123.4100	0.000	1	123.4100	0.000	1	124.4890	2.697	5	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:S-1:	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(H)(S)	N(C[6a]C[6a]2)(CHS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(H)(S)	124.9110	0.000	1	124.9110	0.000	1	124.4890	2.697	5	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:1:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-1:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(O)2	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(O)2	124.9190	0.000	1	124.9190	0.000	1	124.9190	0.000	1	126.0406	5.047	49	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a,6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a,6a]2)(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NCH){2|H<1>,5|C<3>}	C(NC[6a]H)(OC)(O)	123.9111	2.240	11	123.9111	5.016	11	123.9111	5.016	11	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[5a])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NC[5a])(O)	122.3460	0.000	1	122.3460	0.000	1	124.2047	3.233	3	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6])(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NC[6])(O)	124.3330	0.000	1	124.3330	0.000	1	124.2047	3.233	3	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(NC)(O)	125.9350	0.000	1	125.9350	0.000	1	124.2047	3.233	3	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C(NC[6a]H)(NC)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C(NC[6a]H)(NC)(S)	124.5550	0.000	1	124.5550	0.000	1	124.5550	0.000	1	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a,6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C(NC[6a]H)(OC)(O)	128.2710	0.000	1	128.2710	0.000	1	124.6150	6.070	4	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(OC)(O)	123.3963	0.441	3	123.3963	0.194	3	124.6150	6.070	4	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-2:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC)(O)	127.9065	0.402	2	127.9065	0.162	2	127.7273	0.177	3	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-2:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC[5])(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC[5])(O)	127.3690	0.000	1	127.3690	0.000	1	127.7273	0.177	3	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NN)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NN)(H)	123.4770	1.056	2	123.4770	1.116	2	124.5409	1.747	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	124.0438	1.204	6	124.0438	1.449	6	124.5409	1.747	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	124.9775	1.667	2	124.9775	2.778	2	124.5409	1.747	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6a])(H)	124.7340	0.000	1	125.2472	1.589	6	124.5409	1.747	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	125.4617	1.258	3	125.2472	1.589	6	124.5409	1.747	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(NC[6a])(H)	126.6600	0.000	1	125.2472	1.589	6	124.5409	1.747	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(NC[6a])(H)	123.7040	0.000	1	125.2472	1.589	6	124.5409	1.747	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NN)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NN)(O)	128.7275	0.548	2	128.7275	0.300	2	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(O)	127.7730	0.000	1	127.7730	0.000	1	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(NH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NH)(O)	122.0390	0.000	1	122.0390	0.000	1	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(NN)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(NN)(O)	126.5590	0.000	1	126.5590	0.000	1	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(NC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NC)(O)	129.6030	0.000	1	129.6030	0.000	1	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC)(O)	128.1377	1.247	4	128.1377	1.556	4	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[4])(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[4])(O)	126.6650	0.000	1	126.6650	0.000	1	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5])(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5])(O)	127.8383	0.651	4	128.3381	1.020	10	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5])(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[5])(O)	128.6713	1.117	6	128.3381	1.020	10	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6a])(O)	128.3770	0.000	1	127.5002	1.435	6	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(O)	127.3248	1.250	5	127.5002	1.435	6	127.8158	2.546	27	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC)(S)	123.1970	0.000	1	123.1970	0.000	1	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(S)	126.7410	0.000	1	126.7410	0.000	1	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NC[6a])(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(S)	126.8710	0.000	1	126.8710	0.000	1	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC)(S)	128.6550	2.541	5	128.6550	6.457	5	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5])(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5])(S)	130.9900	0.118	5	130.9900	0.014	5	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5a])(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5a])(S)	130.5830	0.000	1	130.5830	0.000	1	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NN)(S)	130.1430	0.000	1	130.1430	0.000	1	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NN[5])(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NN[5])(S)	130.2670	0.000	1	130.2670	0.000	1	129.1267	6.317	16	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:H-1:	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OPd)(H)	N(C[6a]C[6a]2)(CHO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OPd)(H)	126.7870	0.223	2	126.7870	0.050	2	126.7870	0.050	2	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC)(O)	124.0910	1.278	2	124.0910	1.634	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC[5])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(OC[5])(O)	127.3612	1.030	4	127.3612	1.061	4	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(OC)(O)	123.1240	0.000	1	123.1240	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C(NC[6a]H)(OC)(O)	128.9450	0.008	2	128.9450	0.000	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(OC)(O)	128.0880	0.000	1	128.0880	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]S[6a]H)(NCH){1|C<3>,1|C<4>}	C(NC[6a]H)(OC)(O)	127.5943	0.630	8	127.5943	0.397	8	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C(NC[6a]H)(OC)(O)	124.5280	0.000	1	127.4068	2.035	6	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)(OC)(O)	127.9826	0.239	5	127.4068	2.035	6	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]H)(OC)(O)	127.1950	0.000	1	127.1234	1.079	5	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(OC)(O)	127.1055	1.198	4	127.1234	1.079	5	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C(NC[6a]H)(OC)(O)	126.8620	0.098	2	126.8897	1.424	10	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C(NC[6a]H)(OC)(O)	127.4040	0.000	1	126.8897	1.424	10	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	128.4350	0.000	1	126.8897	1.424	10	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(OC)(O)	126.5557	1.377	6	126.8897	1.424	10	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC[6])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C(NC[6a]H)(OC[6])(O)	125.4670	0.443	2	125.4670	0.196	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|O<2>}	C(NC[6a]H)(OC)(O)	127.6283	0.552	7	127.6243	0.261	8	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]B[5])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>}	C(NC[6a]H)(OC)(O)	127.5960	0.000	1	127.6243	0.261	8	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	124.5450	0.000	1	124.5450	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(OC)(O)	125.7660	4.510	2	126.3036	3.886	25	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	126.3504	1.813	23	126.3036	3.886	25	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC[6])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6])(O)	126.3950	0.000	1	126.3950	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6a])(O)	125.4330	0.000	1	125.4330	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(NC[6a]H)(OC)(O)	127.8150	0.000	1	127.1737	2.560	6	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C(NC[6a]H)(OC)(O)	126.2840	1.704	2	127.1737	2.560	6	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	C(NC[6a]H)(OC)(O)	126.5430	1.161	2	127.1737	2.560	6	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	129.5730	0.000	1	127.1737	2.560	6	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|S<2>,3|H<1>}	C(NC[6a]H)(OC)(O)	124.9750	0.000	1	125.1315	0.049	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(OC)(O)	125.2880	0.000	1	125.1315	0.049	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(OC)(O)	126.3770	0.000	1	126.3770	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(OC)(O)	123.0930	0.000	1	123.0930	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)(OC)(O)	127.4680	0.000	1	126.9980	7.396	3	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|I<1>,1|O<2>}	C(NC[6a]H)(OC)(O)	126.7630	3.803	2	126.9980	7.396	3	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	126.5512	2.562	5	126.5512	6.564	5	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(OC[6a])(O)	128.2370	0.000	1	128.2370	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(OC[5])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[5])(O)	127.5260	0.000	1	127.5260	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	127.3040	0.000	1	127.3040	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6a])(O)	127.3690	0.000	1	127.3690	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(OC)(O)	127.1910	0.000	1	127.1910	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(OC[6a])(O)	124.5718	1.372	9	124.5718	1.882	9	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC)(O)	125.3268	2.345	5	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(OC)(O)	127.3145	0.767	2	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(OC)(O)	126.4767	2.126	3	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	126.3047	1.475	77	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C(NC[6a]H)(OC)(O)	125.0100	0.000	1	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(OC)(O)	127.4325	1.269	4	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(OC)(O)	126.7599	0.826	8	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(OC)(O)	127.0240	0.314	2	126.3630	2.206	102	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[5,6])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[5,6])(O)	125.8140	0.000	1	125.8140	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[5])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[5])(O)	126.3708	1.389	5	126.3708	1.930	5	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[6])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6])(O)	126.5430	0.798	10	126.5430	0.637	10	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC[6a])(O)	125.4370	0.000	1	126.2770	1.615	26	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(OC[6a])(O)	126.5535	0.240	2	126.2770	1.615	26	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC[6a])(O)	126.4704	1.364	18	126.2770	1.615	26	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C(NC[6a]H)(OC[6a])(O)	125.3490	2.021	2	126.2770	1.615	26	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC[6a])(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(OC[6a])(O)	125.8313	0.612	3	126.2770	1.615	26	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(ON)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(ON)(O)	126.2230	0.950	2	126.2230	0.903	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OPt)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OPt)(O)	127.8015	2.034	6	127.8015	4.137	6	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OSi)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OSi)(O)	124.4200	0.000	1	124.4200	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(O)	128.0220	0.047	2	128.0220	0.002	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]C[6a]Sn)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(OC)(O)	122.8970	0.000	1	122.8970	0.000	1	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(O)	N(C[6a]C[6a]2)(COO)(H)	C[6a](C[6a]N[5,6a]O)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC)(O)	125.0270	1.509	2	125.0270	2.277	2	126.4630	2.536	267	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(S)	127.1110	0.000	1	127.1110	0.000	1	130.2483	2.965	28	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(OC)(S)	130.7520	1.520	3	130.3645	2.686	27	130.2483	2.965	28	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(OC)(S)	131.9450	0.000	1	130.3645	2.686	27	130.2483	2.965	28	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(OC)(S)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(OC)(S)	130.2452	1.678	23	130.3645	2.686	27	130.2483	2.965	28	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:O-1:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SC[6a])(O)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SC[6a])(O)	126.7400	0.081	2	126.7400	0.006	2	127.1870	0.743	4	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:O-1:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SC[6a])(O)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SC[6a])(O)	127.6340	1.194	2	127.6340	1.425	2	127.1870	0.743	4	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:S-1:	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SIr)(S)	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SIr)(S)	133.4980	1.003	2	133.4980	1.005	2	133.4980	1.005	2	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]C)2(NCO)	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(O)	C[6a](C[6a]C[6a]C)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(NC[6a])(H)	124.3540	0.000	1	124.3540	0.000	1	124.3540	0.000	1	126.7995	4.726	385	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SNi)(NN)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(SNi)(NN)	124.6810	0.000	1	124.6810	0.000	1	126.6935	8.100	2	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SZn)(NN)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(SZn)(NN)	128.7060	0.000	1	128.7060	0.000	1	126.6935	8.100	2	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6a])(CN)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NC[6a])(CN)	128.7540	0.000	1	128.7540	0.000	1	130.4285	5.608	2	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(CC)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6a])(CC)	132.1030	0.000	1	132.1030	0.000	1	130.4285	5.608	2	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NN[6])(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NN[6])(NC)	129.6890	0.000	1	129.6890	0.000	1	129.6890	0.000	1	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-2:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5])(OLi)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5])(OLi)	131.0340	0.000	1	131.0340	0.000	1	131.0340	0.000	1	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC)(SC)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC)(SC)	124.5340	0.000	1	124.5340	0.000	1	127.5905	18.684	2	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NN)(SV)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NN)(SV)	130.6470	0.000	1	130.6470	0.000	1	127.5905	18.684	2	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SCd)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCd)(NP)	130.2340	0.000	1	130.2340	0.000	1	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SCo)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCo)(NP)	130.2710	1.059	2	130.2710	1.122	2	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SNi)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SNi)(NP)	131.3445	0.692	2	131.3445	0.479	2	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SPd)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SPd)(NP)	131.2300	0.000	1	131.2300	0.000	1	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(SCu)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCu)(NP)	121.8970	1.216	3	121.8970	1.478	3	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SCd)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCd)(NN)	130.5173	2.603	3	130.5173	6.773	3	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SCu)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCu)(NN)	129.5518	1.346	6	129.5518	1.813	6	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SCu)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCu)(NP)	127.9010	0.000	1	127.9010	0.000	1	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SIn[5])(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SIn[5])(NN)	131.6150	0.000	1	131.6150	0.000	1	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SMn)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SMn)(NN)	132.2030	0.000	1	132.2030	0.000	1	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SNi)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SNi)(NN)	129.3365	0.836	13	129.3365	0.698	13	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SPd)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SPd)(NN)	129.4480	1.491	7	129.4480	2.222	7	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SPt)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SPt)(NN)	128.4566	4.628	5	128.4566	21.417	5	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SRu)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SRu)(NN)	130.2975	0.418	2	130.2975	0.175	2	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SSn)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SSn)(NN)	129.9713	0.717	3	129.9713	0.514	3	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SZn)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SZn)(NN)	130.0962	1.218	10	130.0962	1.483	10	129.3809	6.032	61	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:O-2:	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SCu)(OC)	N(C[6a]C[6a]2)(COS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCu)(OC)	130.1350	1.075	3	130.1350	1.155	3	130.1350	1.155	3	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	N[5a,6a]-3:C[5,6a]-3:N-3:	N-3:O-2:N-2:	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH)	C(NC[6a]H)(OC[6a])(NC)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C(NC[6a]H)(OC[6a])(NC)	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	129.2691	6.303	73	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NC[6a])(CNO)	122.6180	1.468	3	122.6180	2.156	3	124.4232	14.473	4	127.1646	12.619	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CNO)	129.8390	0.000	1	129.8390	0.000	1	124.4232	14.473	4	127.1646	12.619	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(NCC)	129.9830	0.000	1	129.9830	0.000	1	129.3576	0.856	5	127.1646	12.619	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5a])(NCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5a])(NCH)	129.3150	0.000	1	129.3150	0.000	1	129.3576	0.856	5	127.1646	12.619	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(NCH)	127.7780	0.000	1	127.7780	0.000	1	129.3576	0.856	5	127.1646	12.619	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(NHH)	129.8560	0.194	2	129.8560	0.038	2	129.3576	0.856	5	127.1646	12.619	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(NC[6a])(CC3)	129.3510	0.000	1	129.3510	0.000	1	129.3510	0.000	1	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[5])(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5])(CH3)	125.2660	0.000	1	125.2660	0.000	1	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[6])(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6])(CH3)	125.6310	0.000	1	125.6310	0.000	1	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CC3)	126.7140	0.311	2	126.7140	0.097	2	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CH3)	122.9670	0.000	1	122.9670	0.000	1	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(NC[6a])(CCCH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NC[6a])(CCCH)	123.1710	0.000	1	123.1710	0.000	1	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CC3)	129.7080	0.000	1	129.7080	0.000	1	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NC[6a])(CCHH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CCHH)	130.8285	0.428	2	130.8285	0.183	2	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CH3)	129.9175	0.110	2	129.9175	0.012	2	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C(NC[6a]H)(NC[6a])(CC3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CC3)	129.3173	1.785	4	129.3173	3.186	4	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(CCCH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CCCH)	127.8600	0.294	2	127.8600	0.087	2	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(CH3)	127.6020	0.000	1	127.6020	0.000	1	127.9030	6.366	18	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:P-4:	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6a])(PBCC)	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])(PBCC)	128.6000	0.564	2	128.6000	0.318	2	128.6000	0.318	2	128.0383	5.561	21	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(Cl)	C[6a](C[6a]C[6a]H)2(NClC)	C(C[6a]C[6a]2)(NC[6a]Cl)(O)	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>}	C(C[6a]C[6a]2)(NC[6a]Cl)(O)	126.1425	0.402	2	126.1425	0.162	2	126.1425	0.162	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.0790	0.308	2	124.0790	0.095	2	125.6813	6.339	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.3620	0.000	1	122.3620	0.000	1	125.6813	6.339	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.1400	0.000	1	127.8560	0.631	3	125.6813	6.339	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.7140	1.068	2	127.8560	0.631	3	125.6813	6.339	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:H-1:	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	125.6427	0.530	3	125.6427	0.281	3	125.6427	0.281	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.0500	0.000	1	127.0500	0.000	1	125.5277	3.329	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.9758	2.513	5	124.9758	6.315	5	125.5277	3.329	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	125.8370	0.398	4	125.8370	0.158	4	125.5277	3.329	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C(NC[6a]H)2(O)	126.1500	1.529	2	126.2950	8.506	21	126.2950	8.506	21	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C(NC[6a]H)2(O)	125.2382	1.391	4	126.2950	8.506	21	126.2950	8.506	21	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)2(O)	126.5962	3.339	15	126.2950	8.506	21	126.2950	8.506	21	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NCH)(S)	126.1170	0.000	1	126.1170	0.000	1	127.6935	4.971	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)2(S)	129.2700	0.000	1	129.2700	0.000	1	127.6935	4.971	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,3|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	130.2090	0.000	1	130.2090	0.000	1	130.2090	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6,6a]C[6a])(CC[6]H)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	122.1475	0.043	2	122.1475	0.002	2	122.1475	0.002	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.2445	0.564	2	128.2445	0.318	2	126.7463	2.969	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.4600	0.000	1	125.8645	0.709	2	126.7463	2.969	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	125.2690	0.000	1	125.8645	0.709	2	126.7463	2.969	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	125.1100	1.107	2	125.1100	1.226	2	126.7463	2.969	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.7860	0.000	1	128.7860	0.000	1	126.7463	2.969	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	125.2040	0.000	1	125.2040	0.000	1	125.6121	1.494	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	C(NC[6a]H)2(O)	125.7830	1.013	4	125.6802	1.753	6	125.6121	1.494	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){2|C<3>,2|C<4>}	C(NC[6a]H)2(O)	125.4745	2.358	2	125.6802	1.753	6	125.6121	1.494	7	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CC[6a]C)(NC[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CC[6a]C)(NC[6a]H)(H)	126.5405	0.899	2	126.5405	0.808	2	126.5405	0.808	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CC[6a]C)(NC[6a]H)(O)	129.0940	0.000	1	129.0940	0.000	1	129.0940	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6]-3:N-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[5a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	129.1670	1.041	3	129.1670	1.084	3	129.1670	1.084	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.5675	0.504	2	126.5675	0.254	2	125.9465	0.843	12	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	124.9973	0.402	3	124.9973	0.161	3	125.9465	0.843	12	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.1759	0.900	7	126.1759	0.810	7	125.9465	0.843	12	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	127.1330	1.372	4	127.1330	1.881	4	127.6695	2.013	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6]C[6]2)(NC[6a]H)(O)	128.7425	0.984	2	128.7425	0.967	2	127.6695	2.013	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.8727	0.842	4	127.8727	0.708	4	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.4920	0.000	1	127.4920	0.000	1	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	120.4450	0.000	1	120.4450	0.000	1	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|F<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.0880	0.000	1	125.8303	7.798	3	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.4850	0.000	1	125.8303	7.798	3	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.9180	0.000	1	125.8303	7.798	3	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	124.2180	0.000	1	127.6034	4.223	19	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.0160	0.393	3	127.6034	4.223	19	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.0172	0.206	4	127.6034	4.223	19	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|S<2>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	125.1140	0.000	1	127.6034	4.223	19	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	126.3422	3.002	4	127.6034	4.223	19	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.7745	1.205	6	127.6034	4.223	19	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6])(NCH){2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	125.5490	0.293	2	125.5490	0.086	2	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.3300	0.000	1	124.3300	0.000	1	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]Br)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	121.8480	0.000	1	121.8480	0.000	1	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	128.6675	0.554	2	128.6675	0.307	2	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.6621	0.748	46	128.6621	0.559	46	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.8495	1.563	17	128.8495	2.443	17	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	125.6540	0.000	1	125.6540	0.000	1	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]S)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.4600	0.000	1	124.4600	0.000	1	128.0304	3.546	99	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CCC)(H)	127.3955	3.263	2	127.3955	10.649	2	127.1153	5.560	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C(NC[6a]H)(CCC)(H)	126.5550	0.000	1	126.5550	0.000	1	127.1153	5.560	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CCH)(O)	126.2820	0.000	1	126.2820	0.000	1	127.2432	4.098	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CNO)(O)	125.4510	0.000	1	125.4510	0.000	1	127.2432	4.098	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C(NC[6a]H)(COO)(O)	127.2200	3.510	2	127.2200	12.321	2	127.2432	4.098	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CCH)(O)	128.6430	0.337	2	128.6430	0.113	2	127.2432	4.098	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-3:S-1:	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(S)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CCC)(S)	126.1100	0.000	1	126.1100	0.000	1	126.1100	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){5|C<3>}	C(NC[6a]H)(NCC)(O)	122.5280	0.000	1	122.5280	0.000	1	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[5a]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[5a]H)(NC[6a]H)(O)	126.0693	2.123	3	126.0693	4.506	3	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NCC)(O)	121.0780	1.928	2	121.0780	3.716	2	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NC[5]H)(O)	125.9170	0.508	2	125.9170	0.258	2	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NC[6]H)(O)	124.2861	2.783	17	124.2861	7.744	17	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)2(O)	122.9480	0.000	1	124.7383	3.526	11	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)2(O)	124.9173	1.878	10	124.7383	3.526	11	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(NCH)(O)	126.1590	0.000	1	126.1590	0.000	1	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(NHH)(O)	128.7900	0.000	1	128.7900	0.000	1	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)2(O)	127.3610	0.839	5	127.3610	0.704	5	124.9178	6.420	43	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,1|N<2>,3|C<3>}	C(NC[6a]H)(NCH)(S)	124.3740	0.000	1	124.3740	0.000	1	126.9246	12.364	19	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[5a]H)(NC[6a]H)(S)	125.1273	2.574	4	125.1273	6.625	4	126.9246	12.364	19	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	123.4120	0.000	1	126.1773	10.020	7	126.9246	12.364	19	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NCH)(S)	126.6382	3.200	6	126.1773	10.020	7	126.9246	12.364	19	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NHN)(S)	127.9946	4.099	5	127.9946	16.798	5	126.9246	12.364	19	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(NCH)(S)	131.7350	0.160	2	131.7350	0.026	2	126.9246	12.364	19	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]C)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(H)	120.1460	0.000	2	120.1460	0.000	2	125.0029	9.311	8	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(CC[6a]C)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(H)	126.1410	0.416	3	126.1410	0.173	3	125.0029	9.311	8	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]C)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(H)	127.1027	0.518	3	127.1027	0.269	3	125.0029	9.311	8	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(CC[5a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(CC[5a]C)(NC[6a]H)(O)	129.8015	0.629	2	129.8015	0.395	2	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(O)	128.3960	0.870	2	128.3960	0.756	2	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(O)	122.5020	0.000	1	122.5020	0.000	1	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(CC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(O)	124.1080	0.000	1	124.1080	0.000	1	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(CC[6a]N)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a]H)(O)	127.7250	0.000	1	127.7250	0.000	1	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5a]C)(NC[6a]H)(O)	131.2140	0.000	1	131.2140	0.000	1	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5a]O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5a]O)(NC[6a]H)(O)	125.9087	1.039	4	125.9087	1.080	4	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(O)	126.9172	3.164	4	126.9172	10.012	4	127.0780	7.039	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5a]H)(NC[6a]H)(S)	133.5140	0.000	1	133.5140	0.000	1	129.4260	12.552	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5a]C)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5a]C)(NC[6a]H)(S)	127.3820	0.190	2	127.3820	0.036	2	129.4260	12.552	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(O)	127.9180	0.014	2	127.9180	0.000	2	127.9180	0.000	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(H)	121.1330	0.000	1	121.1330	0.000	1	125.5680	4.419	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5]C[5]N[5])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(NC[6a]H)(H)	122.6970	0.000	1	122.6970	0.000	1	125.5680	4.419	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[5]C[5]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(H)	127.1560	0.000	1	127.1560	0.000	1	125.5680	4.419	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(H)	126.2807	0.517	3	126.1565	0.240	4	125.5680	4.419	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(C[5]C[5]2)(NC[6a]H)(H)	125.7840	0.000	1	126.1565	0.240	4	125.5680	4.419	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]N[5])(NC[6a]H)(H)	128.0290	0.000	1	126.6893	1.730	3	125.5680	4.419	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(NC[6a]H)(H)	126.0195	0.876	2	126.6893	1.730	3	125.5680	4.419	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[5]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(O)	129.1810	0.000	1	129.1810	0.000	1	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(C[5]C[5]S[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(C[5]C[5]S[5])(NC[6a]H)(O)	126.3900	0.000	1	126.3900	0.000	1	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(O)	128.2163	1.628	10	128.2163	2.650	10	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(NC[6a]H)(O)	127.3958	0.243	6	127.3958	0.059	6	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]P[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]P[5])(NC[6a]H)(O)	127.8910	0.000	1	127.8910	0.000	1	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]S[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|C<3>}	C(C[5]C[5]S[5])(NC[6a]H)(O)	127.1270	0.000	1	127.1270	0.000	1	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]N[5,6]N[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]N[5,6]N[5])(NC[6a]H)(O)	126.6540	0.000	1	126.6540	0.000	1	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[5]C[5]S[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5]S[5])(NC[6a]H)(O)	128.4720	0.000	1	128.4720	0.000	1	127.8297	1.569	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(H)	127.7460	0.000	1	127.7460	0.000	1	124.3925	4.852	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[5a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(H)	123.7218	1.641	5	123.7218	2.692	5	124.3925	4.852	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	124.1200	0.000	1	124.1200	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	128.8690	0.000	1	128.8690	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	125.9165	5.269	2	125.9165	27.759	2	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	122.9653	1.136	3	122.9653	1.289	3	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	120.7050	0.000	1	120.7050	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	128.7440	0.000	1	128.7440	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5a]N[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]N[5a]2)(NC[6a]H)(O)	128.9850	0.000	1	128.9850	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	125.0080	0.000	1	125.0080	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	127.4473	1.242	3	127.4473	1.544	3	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	121.7770	0.000	1	121.7770	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	129.3000	0.000	1	129.3000	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	122.5840	0.000	1	122.5840	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	129.3890	0.000	1	129.3890	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	124.9352	1.686	4	124.9352	2.842	4	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	128.9890	0.000	1	128.9890	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	127.6672	2.004	8	127.6672	4.017	8	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5a]N[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(NC[6a]H)(O)	124.0460	1.508	3	124.0460	2.274	3	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	129.7460	0.000	1	129.7460	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	129.6070	0.000	1	129.6070	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[5a]N[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]2)(NC[6a]H)(O)	126.8550	0.000	1	126.8550	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	128.4880	0.000	1	128.4880	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	129.2890	0.387	2	129.2890	0.150	2	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	125.5823	2.176	4	125.5823	4.733	4	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	129.0535	0.013	2	128.6039	0.230	8	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	128.4312	0.513	5	128.6039	0.230	8	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5a]C[5a,6]C[5a])(NC[6a]H)(O)	128.5680	0.000	1	128.6039	0.230	8	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	126.9690	0.000	1	126.9690	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	128.0478	1.282	4	127.4235	3.518	11	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	123.1950	0.000	1	127.4235	3.518	11	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]H)(O)	127.7120	1.436	6	127.4235	3.518	11	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	128.2590	0.000	1	127.3962	2.070	28	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	127.1894	1.509	19	127.3962	2.070	28	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(O)	127.7795	1.319	8	127.3962	2.070	28	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(O)	127.2140	0.491	4	127.2140	0.241	4	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]H)(O)	126.6670	0.656	3	126.6670	0.430	3	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])(NC[6a]H)(O)	125.4060	0.000	1	125.4060	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]N[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5a]N[5a]2)(NC[6a]H)(O)	128.5395	0.258	2	128.5395	0.067	2	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]N[5a]O[5a])(NC[6a]H)(O)	125.8140	0.000	1	125.8140	0.000	1	127.0104	4.678	103	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(S)	134.0930	0.000	1	134.0930	0.000	1	129.6750	14.648	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]H)(S)	127.4660	0.132	2	127.4660	0.017	2	129.6750	14.648	3	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	124.3485	0.390	2	124.3485	0.152	2	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	125.7360	0.000	1	125.7360	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(NCH){2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	125.5860	0.000	1	125.5860	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	125.0330	0.000	1	125.0330	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.3920	0.000	1	126.3920	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	123.9090	0.000	1	123.9090	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.4098	0.508	5	127.7477	0.892	6	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	129.4370	0.000	1	127.7477	0.892	6	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	122.4180	0.000	1	122.4180	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.0387	2.565	4	127.0387	6.578	4	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	128.4690	0.000	1	128.4690	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.4150	0.000	1	126.4150	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	124.6280	0.000	1	124.6280	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<2>,1|C<3>,1|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	127.6130	0.000	1	127.8532	0.585	5	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	128.7530	0.000	1	127.8532	0.585	5	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	127.6333	0.815	3	127.8532	0.585	5	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.9882	1.148	4	126.9882	1.317	4	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	130.0270	0.931	2	130.2053	0.528	3	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	130.5620	0.000	1	130.2053	0.528	3	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.8801	1.195	9	127.5353	1.432	37	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.2810	1.278	2	127.5353	1.432	37	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.4504	1.267	24	127.5353	1.432	37	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.2565	0.149	2	127.5353	1.432	37	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	124.6750	0.000	1	124.6750	0.000	1	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	126.5344	0.961	23	126.6859	1.169	25	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(H)	128.4280	1.080	2	126.6859	1.169	25	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.6915	0.663	2	126.7357	1.319	40	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	125.5700	0.000	1	126.7357	1.319	40	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.4220	3.359	2	126.7357	1.319	40	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.8935	0.706	2	126.7357	1.319	40	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(H)	126.6533	1.045	31	126.7357	1.319	40	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(C[6]C[6]2)(NC[6a]H)(H)	127.7960	0.741	2	126.7357	1.319	40	126.9839	2.091	136	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	126.6010	0.000	1	126.6010	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	124.6870	0.000	1	124.6870	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	124.7760	0.000	1	124.7760	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	126.9360	0.000	1	126.9360	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	127.7780	0.000	1	128.9000	0.578	4	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	129.2740	0.165	3	128.9000	0.578	4	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	122.5840	0.000	1	122.5840	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]S[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]S[6])(NC[6a]H)(O)	125.7290	0.031	2	125.7290	0.001	2	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	128.9070	0.112	2	128.9070	0.012	2	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	129.2403	1.785	3	129.2403	3.187	3	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	127.7350	1.578	4	127.7350	2.489	4	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	122.0110	0.000	1	122.0110	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	126.1503	1.786	10	126.1503	3.188	10	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	129.8300	0.000	1	129.8300	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[5,6]C[6])(NC[6a]H)(O)	129.5260	0.000	1	129.5260	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6]C[6])(NC[6a]H)(O)	125.5210	0.000	1	125.5210	0.000	1	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	123.8070	0.000	1	126.4286	2.053	14	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(O)	126.6303	1.268	13	126.4286	2.053	14	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	127.9470	0.000	1	127.7850	0.417	3	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(O)	127.7040	0.891	2	127.7850	0.417	3	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]S[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]S[6])(NC[6a]H)(O)	125.2955	1.885	4	125.2955	3.552	4	126.7645	4.042	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(S)	131.3375	2.389	2	131.3375	5.709	2	131.3375	5.709	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(H)	126.8739	0.845	14	126.8739	0.713	14	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(H)	124.9990	0.000	1	124.9990	0.000	1	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(H)	124.1114	0.879	5	124.1114	0.773	5	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(H)	128.8450	1.063	2	128.8450	1.131	2	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(H)	126.2750	1.027	13	126.2750	1.055	13	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(H)	125.0983	0.449	3	125.0983	0.202	3	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(H)	126.2233	1.917	6	126.1630	2.913	8	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(H)	125.9820	1.386	2	126.1630	2.913	8	126.2099	2.095	46	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	125.8690	0.000	1	125.8690	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(O)	123.8095	0.177	2	123.8095	0.032	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.2980	0.000	1	125.2730	18.301	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.2480	0.000	1	125.2730	18.301	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.0173	1.324	6	128.0173	1.752	6	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.8230	0.940	2	127.8230	0.884	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.8110	0.000	1	126.8110	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	126.0440	0.000	1	126.0440	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.1820	0.000	1	129.1820	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.7433	2.515	3	124.7433	6.328	3	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.8193	1.260	6	127.8193	1.589	6	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.4660	2.142	4	127.4660	4.589	4	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.1360	0.000	1	126.1360	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]N[6])(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	130.7830	0.000	1	130.7830	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]O)(NCH){2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.9287	5.751	3	127.9287	33.076	3	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.0370	0.000	1	122.0370	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|Br<1>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.4730	0.000	1	124.2951	9.646	8	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.0580	0.000	1	124.2951	9.646	8	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.9717	2.124	6	124.2951	9.646	8	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.7110	0.000	1	128.7110	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.1984	2.970	5	124.1984	8.823	5	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.0270	0.000	1	128.0445	0.001	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.0620	0.000	1	128.0445	0.001	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	127.9460	0.000	1	127.9460	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Br)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	121.4123	1.190	3	121.4123	1.415	3	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.3473	1.953	3	126.9446	6.061	163	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	125.0606	2.655	5	126.9446	6.061	163	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.2671	2.478	14	126.9446	6.061	163	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.5770	0.375	2	126.9446	6.061	163	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.0097	2.438	134	126.9446	6.061	163	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.2830	0.000	1	126.9446	6.061	163	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.2855	3.503	4	126.9446	6.061	163	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.4780	0.000	1	128.7682	2.389	12	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	130.3270	0.000	1	128.7682	2.389	12	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.5910	1.874	7	128.7682	2.389	12	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.0270	0.000	1	128.7682	2.389	12	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.1245	1.292	2	128.7682	2.389	12	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	121.5910	0.000	1	121.5910	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6a]H)(O)	122.4420	0.329	3	122.4420	0.108	3	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.0172	0.744	11	128.0172	0.554	11	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	121.9250	0.000	1	121.9250	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	125.0105	1.397	2	123.4043	3.431	37	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	123.3125	1.848	35	123.4043	3.431	37	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	125.3010	0.000	1	125.3010	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	123.5700	0.000	1	127.3230	3.271	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.3755	1.630	20	127.3230	3.271	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.2530	1.072	2	127.3230	3.271	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.8390	1.896	2	127.3230	3.271	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.8590	0.000	1	127.3230	3.271	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|P<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.5990	0.000	1	127.3230	3.271	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	123.6010	0.000	1	121.9045	5.756	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	120.2080	0.000	1	121.9045	5.756	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.6580	0.000	1	126.1653	3.424	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.0941	1.951	22	126.1653	3.424	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.1833	1.498	4	126.1653	3.424	27	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.3460	0.062	2	128.3460	0.004	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	121.7857	0.741	9	121.7857	0.549	9	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.0325	1.985	2	124.7379	8.299	19	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.1434	1.956	8	124.7379	8.299	19	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.7715	1.129	2	124.7379	8.299	19	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.4225	4.200	6	124.7379	8.299	19	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.7300	0.000	1	124.7379	8.299	19	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.7115	0.682	2	129.0341	1.017	9	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.5272	0.943	5	129.0341	1.017	9	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.6240	1.102	2	129.0341	1.017	9	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.0388	0.869	6	122.0240	0.523	10	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.0018	0.556	4	122.0240	0.523	10	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	121.9370	0.000	1	121.9370	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.1870	1.870	10	124.1870	3.496	10	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.4993	3.372	3	127.4993	11.373	3	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.5070	2.807	2	125.7729	5.131	92	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.7680	0.000	1	125.7729	5.131	92	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.3900	0.000	1	125.7729	5.131	92	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	125.7428	2.310	82	125.7729	5.131	92	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	125.3575	1.710	2	125.7729	5.131	92	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.5778	0.524	4	125.7729	5.131	92	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.1440	4.356	2	126.8337	3.621	57	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	126.8370	1.808	53	126.8337	3.621	57	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	126.4365	3.652	2	126.8337	3.621	57	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	128.3210	0.000	1	128.3210	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	125.2400	2.156	4	125.2400	4.647	4	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.1390	0.000	1	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.3570	1.381	11	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.0965	0.298	2	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.8111	2.116	24	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.7990	0.000	1	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.4106	1.313	20	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.6942	0.913	6	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.7830	0.696	2	128.0368	2.723	67	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.3828	0.957	6	128.7076	1.020	8	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.6820	0.178	2	128.7076	1.020	8	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	126.9360	0.000	1	126.9360	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	129.1210	0.000	1	129.1210	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.8093	2.126	12	127.8093	4.520	12	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.5270	0.980	6	128.5270	0.961	6	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.0883	1.287	25	126.0883	1.657	25	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.8990	0.000	1	127.8990	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(NCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	130.9810	0.000	1	130.9810	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(O)	124.4280	0.000	1	124.4280	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]2)(NC[6a]H)(O)	128.4860	0.000	1	128.4860	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]H)(O)	126.7684	1.256	7	126.7684	1.577	7	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.7852	1.412	5	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.8335	0.129	15	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.2010	1.319	17	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.9665	0.161	2	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.2302	0.696	10	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.5900	1.354	8	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.7793	1.468	10	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.4901	1.189	13	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<4>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.3900	0.358	3	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.0240	1.602	8	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.2025	0.248	2	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.7815	1.592	236	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	123.6600	0.000	1	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.0038	1.505	13	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.1489	1.069	7	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.8255	1.017	27	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.9130	2.611	2	126.7652	2.342	379	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.0757	1.449	6	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.5555	0.705	6	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.4270	0.530	2	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.0390	0.000	1	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.5950	0.000	1	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.1207	1.014	65	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	126.6518	1.586	4	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	127.8230	0.190	2	127.9239	1.193	87	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	126.6040	0.000	1	126.9620	0.394	6	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(NC[6a]H)(O)	127.0336	0.674	5	126.9620	0.394	6	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.7280	0.000	1	127.7280	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.8450	0.000	1	129.6144	0.077	5	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.5567	0.284	4	129.6144	0.077	5	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<2>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.4767	0.649	3	128.4767	0.421	3	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.9020	0.805	3	127.9020	0.648	3	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.7769	1.442	13	122.7769	2.080	13	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	128.4230	0.000	1	128.4230	0.000	1	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,2|C<4>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	128.0780	0.000	1	128.8815	1.291	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]N[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(O)	129.6850	0.000	1	128.8815	1.291	2	126.6286	5.107	1188	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	125.4177	1.143	4	125.4177	1.306	4	127.7921	7.210	17	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(S)	128.1139	1.722	10	128.1139	2.964	10	127.7921	7.210	17	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(S)	132.7145	0.103	2	132.7145	0.011	2	127.7921	7.210	17	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]O)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(S)	124.2260	0.000	1	124.2260	0.000	1	127.7921	7.210	17	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(CCC)(H)	124.7900	0.724	2	124.7900	0.524	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]H)(CCC)(H)	126.7690	0.000	1	126.7690	0.000	1	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(H)	124.9265	0.316	2	124.9265	0.100	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(H)	128.0590	0.000	1	128.0590	0.000	1	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(H)	126.4025	3.726	2	126.4025	13.881	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCN)(H)	123.0870	0.304	2	123.0870	0.092	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHN)(H)	127.5280	3.973	3	127.5280	15.783	3	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(H)	127.2850	0.502	2	127.2850	0.252	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(H)	126.3110	0.830	2	126.3110	0.689	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(H)	125.5805	0.583	2	125.5805	0.340	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CC[5]C)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC[5]C)(H)	126.6055	0.954	4	126.6055	0.911	4	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CCC)(H)	126.8610	0.000	1	126.9015	0.003	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(H)	126.9420	0.000	1	126.9015	0.003	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCC)(H)	127.6550	0.000	1	126.1928	2.967	22	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CCC)(H)	127.4540	0.000	1	126.1928	2.967	22	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCC)(H)	127.5830	0.000	1	126.1928	2.967	22	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(H)	126.0944	1.732	18	126.1928	2.967	22	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(CCC)(H)	123.8490	0.000	1	126.1928	2.967	22	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(H)	124.6127	3.912	3	124.6127	15.301	3	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CCN)(H)	128.0520	0.000	1	128.0520	0.000	1	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC[5]C)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC[5]C)(H)	124.2020	0.216	2	124.2020	0.047	2	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC[5]H)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC[5]H)(H)	128.2110	0.000	1	128.2110	0.000	1	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(CCC)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]O)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CCC)(H)	126.8320	0.000	1	126.8320	0.000	1	126.1087	3.827	55	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]C)(NCH){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C(NC[6a]H)(CCC)(O)	123.8770	0.000	1	123.8770	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	C(NC[6a]H)(CCC)(O)	125.1300	0.298	2	125.1300	0.089	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]C)(NCH){1|O<2>,2|C<3>}	C(NC[6a]H)(CCC)(O)	128.9300	0.000	1	128.9300	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CNO)(O)	121.5620	0.000	1	121.5620	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCC)(O)	129.3220	0.000	1	129.3220	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	125.6790	0.000	1	125.6790	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCC)(O)	129.9340	0.000	1	129.9340	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	128.7820	1.121	3	128.7820	1.256	3	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCN)(O)	129.1730	0.164	3	129.1730	0.027	3	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC[5]C)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC[5]C)(O)	128.9950	0.000	1	128.9950	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	128.5557	0.600	8	128.5557	0.359	8	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(COO)(O)	124.4250	0.625	2	127.0042	5.747	5	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(COO)(O)	128.7237	0.461	3	127.0042	5.747	5	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	124.0345	0.149	2	124.0345	0.022	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	124.8305	0.187	2	124.8305	0.035	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(COO)(O)	123.2080	0.875	4	123.2080	0.766	4	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	128.3330	0.000	1	126.5435	4.330	4	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCH)(O)	125.9470	2.088	3	126.5435	4.330	4	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	129.5400	0.000	1	129.5400	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	121.6890	1.692	3	120.4840	7.717	4	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){2|Cl<1>,1|N<2>}	C(NC[6a]H)(CCH)(O)	116.8690	0.000	1	120.4840	7.717	4	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(O)	128.8510	0.000	1	128.8510	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	125.0800	2.259	3	125.0800	5.101	3	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(COO)(O)	129.3690	0.000	1	129.3690	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CCC)(O)	121.9527	1.031	13	121.9527	1.062	13	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(O)	125.5420	0.000	1	125.5420	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(O)	124.9140	1.263	2	124.9140	1.595	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	125.5500	0.000	1	125.5500	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	128.7850	0.000	1	128.7850	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(COO)(O)	126.1520	0.158	3	124.8902	2.092	6	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(COO)(O)	123.0160	0.000	1	124.8902	2.092	6	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(COO)(O)	123.9345	0.542	2	124.8902	2.092	6	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCC)(O)	128.8980	0.000	1	128.6210	0.153	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(O)	128.3440	0.000	1	128.6210	0.153	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	128.7050	0.000	1	128.7050	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CNO)(O)	130.7320	0.000	1	129.0252	1.133	10	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C(NC[6a]H)(CNO)(O)	128.9815	0.698	2	129.0252	1.133	10	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CNO)(O)	129.1447	0.542	4	129.0252	1.133	10	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	128.1885	2.068	2	129.0252	1.133	10	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CNO)(O)	128.6010	0.000	1	129.0252	1.133	10	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(O)	131.5457	4.547	10	131.5457	20.679	10	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHH)(O)	128.3310	0.000	1	128.3310	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CNO)(O)	127.2650	0.000	1	127.2650	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CCC)(O)	127.4990	0.000	1	127.5061	2.803	22	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(O)	127.3872	1.806	18	127.5061	2.803	22	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(CCC)(O)	129.1140	0.000	1	127.5061	2.803	22	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCC)(O)	127.7765	0.637	2	127.5061	2.803	22	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCH)(O)	128.2045	0.672	2	128.1757	1.524	37	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCH)(O)	127.7475	1.532	2	128.1757	1.524	37	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(O)	128.3579	1.394	24	128.1757	1.524	37	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCH)(O)	127.9680	0.856	5	128.1757	1.524	37	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(CCH)(O)	127.5420	0.700	4	128.1757	1.524	37	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCN)(O)	128.3406	0.377	5	128.3406	0.142	5	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCO)(O)	126.4037	1.231	3	126.4037	1.515	3	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCS)(O)	128.5705	0.317	2	128.5705	0.101	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC[5]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC[5]H)(O)	128.8050	0.000	1	128.8050	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC[5]O)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CC[5]O)(O)	127.6180	0.000	1	127.6180	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHH)(O)	126.7840	0.000	1	126.7840	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHN)(O)	129.1720	0.362	2	128.9883	0.167	3	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Br<1>,1|C<3>}	C(NC[6a]H)(CHN)(O)	128.6210	0.000	1	128.9883	0.167	3	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CNO)(O)	126.3395	0.774	2	127.2285	0.896	13	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CNO)(O)	126.5930	0.000	1	127.2285	0.896	13	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CNO)(O)	127.9800	0.959	2	127.2285	0.896	13	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(O)	127.7318	0.678	6	127.2285	0.896	13	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(CNO)(O)	126.1740	0.280	2	127.2285	0.896	13	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNS)(O)	130.1935	1.814	2	130.1935	3.290	2	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(COO)(O)	125.6780	0.000	1	127.3119	1.378	19	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(COO)(O)	127.5321	1.356	10	127.3119	1.378	19	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(COO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(COO)(O)	127.2409	0.850	8	127.3119	1.378	19	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CCH)(O)	128.4440	0.000	1	128.4440	0.000	1	127.2097	7.616	209	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCS)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCS)(S)	125.9590	0.000	1	125.9590	0.000	1	128.1255	9.148	4	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(S)	132.4320	0.000	1	132.4320	0.000	1	128.1255	9.148	4	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(S)	128.0340	0.000	1	128.0340	0.000	1	128.1255	9.148	4	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNO)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNO)(S)	126.0770	0.000	1	126.0770	0.000	1	128.1255	9.148	4	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)2(NCH)	C(NC[6a]H)(NCH)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]2)2(NCH){2|H<1>,5|C<3>}	C(NC[6a]H)(NCH)(H)	121.4560	0.000	1	121.4560	0.000	1	123.7587	6.651	15	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]Cu)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Cu)(NC[6a]H)(H)	120.7000	0.000	1	120.7000	0.000	1	123.7587	6.651	15	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(H)	123.5356	2.774	8	123.5356	7.695	8	123.7587	6.651	15	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCC)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(H)	123.8810	0.000	1	123.8810	0.000	1	123.7587	6.651	15	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(H)	123.8235	0.183	2	123.8235	0.034	2	123.7587	6.651	15	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]Pt)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]H)(H)	126.7800	0.000	1	126.7800	0.000	1	123.7587	6.651	15	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]Ru)(NC[6a]H)(H)	N(C[6a]C[6a]2)(CHN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Ru)(NC[6a]H)(H)	127.6320	0.000	1	127.6320	0.000	1	123.7587	6.651	15	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>}	C(NC[6a]H)(NCH)(O)	124.9610	0.171	2	124.9610	0.029	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NCH)(O)	126.2075	0.831	6	126.2075	0.691	6	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)2(O)	124.0040	0.000	1	124.0040	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH)	C(NC[5a]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a,6a]I)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[5a]H)(NC[6a]H)(O)	125.0315	0.257	2	125.0315	0.066	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(NC[6]H)(O)	126.2560	0.000	1	126.2560	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)2(O)	123.1020	0.000	1	123.1020	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C(NC[6a]H)2(O)	126.0010	0.000	1	126.0010	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)2(O)	128.1810	0.000	1	128.1810	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	125.9880	0.774	2	125.9880	0.598	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(O)	118.6560	0.000	1	118.6560	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	127.6315	2.811	2	127.6315	7.900	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	125.7728	1.668	4	125.7728	2.783	4	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(O)	121.8730	0.000	1	121.8730	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(O)	128.4835	0.231	2	128.4835	0.053	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	125.9612	1.994	19	125.9612	3.977	19	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)2(O)	126.1365	0.228	2	126.1365	0.052	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	123.1677	0.244	3	123.1677	0.059	3	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	122.2150	1.230	2	122.2150	1.514	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NCH)(O)	127.0250	0.000	1	127.3677	0.341	3	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(NCH)(O)	127.5390	0.711	2	127.3677	0.341	3	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	126.5743	0.361	3	126.5743	0.130	3	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	127.4380	0.000	1	127.4380	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NCH)(O)	126.6000	0.000	1	125.4420	5.947	3	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	124.8630	3.144	2	125.4420	5.947	3	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	126.1696	0.686	5	126.1696	0.471	5	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NCH)(O)	122.3287	1.217	17	122.3287	1.482	17	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NC[6]H)(O)	120.6739	1.371	7	120.6739	1.879	7	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)2(O)	122.2816	1.423	7	122.2816	2.026	7	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	123.4480	0.000	1	123.4480	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(O)	125.6210	0.000	1	125.6210	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	125.9914	1.402	25	125.9914	1.965	25	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NCN)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCN)(O)	124.5025	0.651	2	124.5025	0.424	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5]H)(O)	121.1210	0.000	1	121.1210	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	127.1750	0.841	4	127.1750	0.708	4	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(O)	123.3570	0.000	1	123.3570	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)2(O)	128.1905	0.295	2	124.7948	4.077	111	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)2(O)	124.9758	1.844	4	124.7948	4.077	111	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)2(O)	125.1538	2.878	6	124.7948	4.077	111	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	124.6971	1.948	99	124.7948	4.077	111	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NCC)(O)	126.9510	0.000	1	126.9510	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NCH)(O)	127.7195	0.394	2	127.7195	0.155	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)2(O)	126.8907	1.193	6	127.4172	11.798	16	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)2(O)	126.3470	0.000	1	127.4172	11.798	16	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	127.8871	4.542	9	127.4172	11.798	16	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	125.6435	1.683	4	125.6435	2.831	4	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)2(O)	123.2930	0.822	2	123.2930	0.675	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(O)	126.2043	1.810	15	126.2043	3.277	15	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(O)	126.4583	1.065	12	126.4583	1.135	12	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NHH)(O)	126.8900	0.000	1	126.8900	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|C<4>}	C(NC[6a]H)2(O)	127.6920	0.222	2	126.7770	1.332	24	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)2(O)	126.6939	1.170	22	126.7770	1.332	24	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NCC)(O)	126.6490	0.062	2	126.6490	0.004	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[5a]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[5a]H)(NC[6a]H)(O)	127.4130	0.000	1	126.5491	2.030	19	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[5a]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[5a]H)(NC[6a]H)(O)	126.5011	1.450	18	126.5491	2.030	19	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a]H)(O)	124.9570	0.000	1	124.9570	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	126.1836	2.166	16	126.1836	4.689	16	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]C[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]C[5])(NC[6a]H)(O)	124.3060	0.000	1	124.3060	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NCC)(O)	124.6460	0.458	2	124.8931	2.330	14	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(O)	124.9343	1.650	12	124.8931	2.330	14	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(O)	127.2420	1.469	6	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(NCH)(O)	126.2425	2.973	2	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NCH)(O)	127.7477	1.324	12	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NCH)(O)	127.2035	0.231	2	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NCH)(O)	125.4333	1.209	3	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NCH)(O)	125.9270	0.000	1	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	127.2575	1.539	118	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(O)	122.0760	0.000	1	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(NCH)(O)	128.3265	0.428	4	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Br<1>,1|C<3>}	C(NC[6a]H)(NCH)(O)	126.5450	0.000	1	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(NCH)(O)	127.5510	0.003	2	127.2300	2.438	152	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCO)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCO)(O)	123.9380	0.000	1	124.6755	1.088	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCO)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCO)(O)	125.4130	0.000	1	124.6755	1.088	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5]C)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5]C)(O)	124.0700	0.000	1	124.0700	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NC[5]H)(O)	126.2940	1.476	5	126.2815	1.334	8	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NC[5]H)(O)	126.1360	0.000	1	126.2815	1.334	8	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5]H)(O)	126.3230	0.772	2	126.2815	1.334	8	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(NC[6]H)(O)	128.0130	0.000	1	126.8710	2.182	21	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NC[6]H)(O)	129.1500	0.000	1	126.8710	2.182	21	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	126.7501	1.481	17	126.8710	2.182	21	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C(NC[6a]H)(NC[6]H)(O)	125.5300	0.000	1	126.8710	2.182	21	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(NC[6]H)(O)	126.8470	0.000	1	126.8710	2.182	21	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]O)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]O)(O)	125.3435	0.518	2	125.3435	0.269	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)(NHH)(O)	123.5170	0.000	1	127.3731	3.745	39	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	C(NC[6a]H)(NHH)(O)	126.9840	0.935	2	127.3731	3.745	39	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(O)	127.7996	1.565	29	127.3731	3.745	39	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(NHH)(O)	125.9347	2.800	6	127.3731	3.745	39	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C(NC[6a]H)(NHH)(O)	128.2680	0.000	1	127.3731	3.745	39	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(O)	127.4193	1.495	34	127.4193	2.236	34	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHO)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHO)(O)	124.1360	0.294	2	124.1360	0.087	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NN[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NN[6]H)(O)	126.3630	0.000	1	126.3630	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NRuN)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NRuN)(O)	125.2370	0.000	1	125.2370	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)2(O)	123.2860	0.320	2	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(NC[6a]H)2(O)	126.2300	1.577	13	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)2(O)	126.9788	1.694	17	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)2(O)	127.7380	0.000	1	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)2(O)	123.1390	0.656	4	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)2(O)	126.9615	0.771	13	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)2(O)	124.3727	4.331	3	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)2(O)	127.6647	0.339	4	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)2(O)	126.1622	1.512	6	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)2(O)	126.9000	0.000	1	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	126.6147	1.740	271	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C(NC[6a]H)2(O)	126.1663	0.589	8	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)2(O)	127.1490	0.000	1	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)2(O)	127.0185	2.458	4	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)2(O)	126.4775	1.609	2	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)2(O)	126.9966	0.616	7	126.5650	3.027	357	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C(NC[6a]H)(NCH)(O)	122.8333	1.483	3	122.8333	2.198	3	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[6a])2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]N[6a])2(NCH){5|C<3>}	C(NC[6a]H)2(O)	120.2970	0.194	2	120.2970	0.038	2	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	125.8660	0.000	1	125.8660	0.000	1	126.2365	4.351	1001	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)2(S)	125.2650	0.000	1	125.2650	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C(NC[6a]H)(NCH)(S)	131.7315	1.056	2	131.7315	1.115	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)2(S)	130.6350	0.000	1	128.4915	17.929	4	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)2(S)	127.7770	4.882	3	128.4915	17.929	4	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(S)	126.3415	0.166	2	126.3415	0.028	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	124.1803	2.339	4	124.1803	5.473	4	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(S)	123.9970	0.000	1	123.9970	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(S)	126.5145	0.364	2	126.5145	0.133	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NCH)(S)	123.0021	1.273	13	124.4255	6.546	26	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	125.8488	2.762	13	124.4255	6.546	26	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(S)	125.7260	0.000	1	125.7260	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(S)	124.7570	0.000	1	124.7570	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(S)	127.6907	3.908	8	128.6062	16.063	10	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NHN)(S)	132.2680	2.028	2	128.6062	16.063	10	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHP)(S)	125.5790	2.990	2	125.5790	8.938	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	124.4614	1.771	8	124.4614	3.136	8	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	122.5284	1.375	8	122.5284	1.892	8	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(S)	120.5100	0.000	1	120.5100	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(S)	123.8050	0.000	1	123.8050	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHP)(S)	123.6515	0.380	2	123.6515	0.144	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	123.0230	0.000	1	123.0230	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NCH)(S)	131.2885	0.650	2	127.0151	9.894	18	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	126.3163	3.006	12	127.0151	9.894	18	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(S)	126.9750	2.942	4	127.0151	9.894	18	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(S)	127.0540	0.000	1	127.0540	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(S)	131.3060	0.000	1	131.3060	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	124.4465	3.234	2	124.4465	10.456	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	122.6227	1.186	11	122.6227	1.408	11	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	124.9523	5.040	3	124.9523	25.400	3	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(S)	124.5000	0.000	1	124.5000	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(S)	130.4330	0.000	1	130.4330	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NCH)(S)	121.4613	0.688	3	121.6738	0.496	4	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	122.3110	0.000	1	121.6738	0.496	4	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	123.1970	0.000	1	123.1970	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	125.2764	3.264	56	125.3624	10.883	57	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(S)	130.1790	0.000	1	125.3624	10.883	57	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	128.5348	3.119	20	128.5348	9.729	20	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NCH)(S)	131.3450	0.000	1	130.2624	2.422	10	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	130.1421	1.601	9	130.2624	2.422	10	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(S)	125.1240	0.000	1	125.1240	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(S)	132.1094	2.348	7	132.1094	5.511	7	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	131.1600	0.000	1	131.1600	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(S)	126.5690	2.488	2	126.5690	6.188	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NC[6]H)(S)	126.7040	0.000	1	126.7040	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NHN)(S)	121.9565	0.955	2	121.9565	0.913	2	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[3x6]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[3x6]H)(NC[6a]H)(S)	125.6840	0.000	1	125.6840	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[5a]H)(NC[6a]H)(S)	127.5168	2.721	6	127.5168	7.405	6	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(S)	128.0854	2.170	8	128.0854	4.710	8	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(S)	131.5563	1.452	3	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(S)	129.7565	2.551	2	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NCH)(S)	127.9491	3.065	10	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(NCH)(S)	130.7540	0.000	1	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)(NCH)(S)	130.5890	0.605	3	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NCH)(S)	124.6783	1.245	3	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NCH)(S)	129.2385	2.410	6	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NCH)(S)	130.2479	2.399	8	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	128.7324	2.779	133	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(NCH)(S)	125.5715	0.867	4	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(S)	126.9895	3.816	14	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(NCH)(S)	128.7910	0.000	1	128.6063	8.422	188	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[3]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[3]H)(S)	132.3590	0.000	1	132.3590	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NC[5]H)(S)	133.2170	0.000	1	131.3385	2.988	16	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5]H)(S)	131.2133	1.712	15	131.3385	2.988	16	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NC[6]H)(S)	129.6288	1.831	5	128.3469	5.643	12	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)(S)	127.4313	2.401	7	128.3469	5.643	12	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NHH)(S)	123.6340	0.000	1	125.2967	3.212	10	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(S)	125.6428	2.143	6	125.2967	3.212	10	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(NHH)(S)	125.1587	1.094	3	125.2967	3.212	10	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(NHN)(S)	130.9460	0.000	1	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(NHN)(S)	130.1570	0.355	2	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)(NHN)(S)	130.5710	0.000	1	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NHN)(S)	131.3630	0.000	1	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NHN)(S)	127.9340	0.000	1	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NHN)(S)	125.9603	2.276	3	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(S)	128.2113	2.832	81	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(NHN)(S)	125.8350	0.590	2	128.2152	7.799	92	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NHP)(S)	128.9110	0.000	1	128.7413	0.040	3	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(NHP)(S)	128.5200	0.000	1	128.7413	0.040	3	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHP)(S)	128.7930	0.000	1	128.7413	0.040	3	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHS)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHS)(S)	125.0250	0.000	1	125.0250	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)2(S)	128.0356	1.274	5	128.6850	6.789	78	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)2(S)	125.9975	2.161	4	128.6850	6.789	78	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)2(S)	126.8140	1.243	2	128.6850	6.789	78	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	128.9535	2.654	66	128.6850	6.789	78	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)2(S)	128.7090	0.000	1	128.6850	6.789	78	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(NCH)(S)	125.5970	0.000	1	125.5970	0.000	1	127.6469	11.137	638	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:Se-1:	N(C[6a]C[6a]2)(CSeN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(Se)	N(C[6a]C[6a]2)(CSeN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(Se)	121.5000	0.000	1	121.5000	0.000	1	121.5000	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(N[5]C[5]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(N[5]C[5]2)(NC[6a]H)(O)	126.5210	0.000	1	126.5210	0.000	1	125.5455	2.640	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(N[5]C[5,6]C[5])(NC[6a]H)(O)	124.9980	0.000	1	124.9980	0.000	1	125.5455	2.640	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	125.5460	0.142	4	126.0183	0.548	6	125.5455	2.640	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5])(NC[6a]H)(O)	126.9630	0.000	2	126.0183	0.548	6	125.5455	2.640	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a]H)(O)	124.7623	2.384	6	124.7623	5.682	6	125.5455	2.640	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5]N[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NC[6a]H)(O)	125.5020	0.000	1	125.5020	0.000	1	125.5455	2.640	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5]S[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5]S[5])(NC[6a]H)(O)	127.0230	0.000	1	127.0230	0.000	1	125.5455	2.640	16	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NC[6a]H)(S)	132.2460	0.000	1	132.2460	0.000	1	130.5585	8.074	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(NC[6a]H)(S)	131.1740	0.000	2	131.1740	0.000	2	130.5585	8.074	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a]H)(S)	125.3870	0.000	1	125.3870	0.000	1	130.5585	8.074	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5]N[5])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5]N[5])(NC[6a]H)(S)	131.6850	2.735	2	131.6850	7.481	2	130.5585	8.074	6	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	126.1383	0.359	3	126.1383	0.129	3	126.5971	1.023	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	126.8750	0.000	1	126.8750	0.000	1	126.5971	1.023	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(O)	127.2905	0.193	2	127.2905	0.037	2	126.5971	1.023	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(O)	126.8580	0.000	1	126.8580	0.000	1	126.5971	1.023	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(NC[6a]H)(O)	124.7270	0.000	1	126.5840	6.897	2	126.5971	1.023	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(N[5a]C[5a]2)(NC[6a]H)(O)	128.4410	0.000	1	126.5840	6.897	2	126.5971	1.023	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[5a]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(O)	126.0740	0.000	1	126.0740	0.000	1	126.5971	1.023	10	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(NC[6a]H)(S)	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6,6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[6,6]C[3x6]O[6,6])(NC[6a]H)(O)	125.8150	0.000	1	125.8150	0.000	1	126.3400	0.551	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6,6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[6,6]C[6,6]N[6,6])(NC[6a]H)(O)	126.8650	0.000	1	126.8650	0.000	1	126.3400	0.551	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	126.5480	0.000	2	126.5480	0.000	2	124.6999	3.283	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	122.0000	1.372	2	122.0000	1.882	2	124.6999	3.283	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(O)	124.3291	1.464	14	124.3291	2.144	14	124.6999	3.283	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	125.8085	0.869	2	126.4235	1.325	4	124.6999	3.283	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6]C[6]N[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]N[6])(NC[6a]H)(O)	127.0385	1.306	2	126.4235	1.325	4	124.6999	3.283	22	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(N[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(S)	125.5980	0.000	1	125.5980	0.000	1	126.4891	0.977	13	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(S)	126.5983	1.035	11	126.5633	0.988	12	126.4891	0.977	13	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6]C[6]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(N[6]C[6]2)(NC[6a]H)(S)	126.1790	0.000	1	126.5633	0.988	12	126.4891	0.977	13	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	126.0120	0.000	1	126.0120	0.000	1	126.0120	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(CC[6a]N)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a]O)(H)	119.6650	0.000	1	119.6650	0.000	1	119.6650	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[5a]C[5a]2)(NC[6a]O)(H)	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>}	C(C[5a]C[5a]2)(NC[6a]O)(H)	120.2160	0.000	2	120.2160	0.000	2	120.2160	0.000	2	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(H)	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>}	C(C[6a]C[6a]2)(NC[6a]O)(H)	120.0220	0.000	1	120.0220	0.000	1	120.7176	0.782	12	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(H)	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>}	C(C[6a]C[6a]2)(NC[6a]O)(H)	120.4964	0.693	9	120.7808	0.807	11	120.7176	0.782	12	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(H)	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>}	C(C[6a]C[6a]2)(NC[6a]O)(H)	122.0605	0.482	2	120.7808	0.807	11	120.7176	0.782	12	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(NC[6a]O)(CCH)(H)	N(C[6a]C[6a]2)(CCH)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(CCH)(H)	120.8940	0.000	1	120.8940	0.000	1	120.8940	0.000	1	126.7143	6.390	3884	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(CC[6a]O)(NC[6a]H)(NO)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(CC[6a]O)(NC[6a]H)(NO)	125.7890	0.000	1	125.7890	0.000	1	125.7890	0.000	1	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NCH)(SRu)	124.5810	0.000	1	124.5810	0.000	1	124.5810	0.000	1	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]O)(NC[6a]H)(NO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(NO)	128.7560	0.000	1	128.7560	0.000	1	127.7508	2.725	13	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]O)(NC[6a]H)(NO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(NO)	128.3640	0.000	1	128.3640	0.000	1	127.7508	2.725	13	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]O)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(NC[6a])	130.3990	0.000	1	130.3990	0.000	1	127.7508	2.725	13	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]O)(NC[6a]H)(NO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(NO)	126.4788	1.738	5	126.9891	2.570	8	127.7508	2.725	13	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]O)(NC[6a]H)(NO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]O)(NC[6a]H)(NO)	127.8397	1.104	3	126.9891	2.570	8	127.7508	2.725	13	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]P)(NC[6a]H)(NS)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]P)(NC[6a]H)(NS)	128.6645	0.029	2	128.6645	0.001	2	127.7508	2.725	13	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:S-2:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5a]C)(NC[6a]H)(SC)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5a]C)(NC[6a]H)(SC)	130.8510	0.000	1	130.8510	0.000	1	130.8510	0.000	1	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(OH)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(OH)	127.8680	0.334	2	127.8680	0.111	2	128.0831	1.859	14	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5])(NC[6a]H)(OCo)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]N[5])(NC[6a]H)(OCo)	128.1147	1.664	9	128.1147	2.768	9	128.0831	1.859	14	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5])(NC[6a]H)(OCu)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(NC[6a]H)(OCu)	127.5925	0.237	2	127.5925	0.056	2	128.0831	1.859	14	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5])(NC[6a]H)(OZn)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5])(NC[6a]H)(OZn)	129.2100	0.000	1	129.2100	0.000	1	128.0831	1.859	14	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	N(C[6a]C[6a]2)(CC[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(NS)	130.7810	0.000	1	130.7810	0.000	1	130.7810	0.000	1	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(NC[6a]H)(SCo)	N(C[6a]C[6a]2)(CC[5a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]H)(SCo)	130.3893	2.672	4	130.3893	7.142	4	130.3893	7.142	4	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(NC[6])	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(NC[6])	130.3880	0.000	1	130.3880	0.000	1	130.3880	0.000	1	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(OCu)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(OCu)	129.0400	0.000	1	129.0400	0.000	1	128.3733	0.617	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(OC)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(OC)	129.7390	0.000	1	129.7390	0.000	1	128.3733	0.617	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	128.0230	0.409	4	127.9668	0.142	5	128.3733	0.617	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(OMn)	127.7420	0.000	1	127.9668	0.142	5	128.3733	0.617	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(SC)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(SC)	126.5010	0.000	1	126.5010	0.000	1	126.2162	12.378	19	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SFe)	122.4343	2.117	6	122.4343	4.484	6	126.2162	12.378	19	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(SC)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(SC)	125.2940	0.000	1	125.2940	0.000	1	126.2162	12.378	19	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(SOs)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SOs)	125.5340	0.000	1	125.5340	0.000	1	126.2162	12.378	19	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(SPd)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SPd)	128.7580	0.000	1	128.7580	0.000	1	126.2162	12.378	19	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(SPt)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SPt)	128.9445	2.592	8	128.9445	6.719	8	126.2162	12.378	19	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6])(NC[6a]H)(SRu)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]H)(SRu)	125.8590	0.000	1	125.8590	0.000	1	126.2162	12.378	19	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC)	127.3970	0.000	1	127.3970	0.000	1	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC)	128.3580	0.670	2	128.3580	0.449	2	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	127.6037	2.583	4	127.6037	6.673	4	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]H)(NC[5a])	128.4100	0.000	1	128.4100	0.000	1	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NC)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC)	126.1793	1.438	6	126.1793	2.068	6	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC[5a])	128.4450	0.000	1	128.4450	0.000	1	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NC[6a])	129.1825	0.893	6	129.1825	0.797	6	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NN)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NN)	127.4730	0.000	1	127.4730	0.000	1	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NO)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NO)	127.6330	0.000	1	127.6330	0.000	1	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NRh)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NRh)	128.8410	0.000	1	128.8410	0.000	1	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NRu)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NRu)	124.3320	0.000	1	124.3320	0.000	1	127.6733	3.191	25	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(OCr)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6,6a]C[6a])(NC[6a]H)(OCr)	120.5650	0.000	1	120.5650	0.000	1	125.5412	11.235	4	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	126.6750	0.000	1	126.6750	0.000	1	125.5412	11.235	4	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(OPd)	127.4625	0.524	2	127.4625	0.275	2	125.5412	11.235	4	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:P-2:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a])	131.3020	0.560	2	131.3020	0.314	2	131.3020	0.314	2	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(SPd)	128.3200	2.416	4	128.3200	5.837	4	127.9254	3.580	8	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-2:	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	N(C[6a]C[6a]2)(CC[6a]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(SPt)	127.5307	1.449	4	127.5307	2.101	4	127.9254	3.580	8	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCC)(NS)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(NS)	128.9760	0.000	1	128.9760	0.000	1	128.6620	0.866	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCN)(NO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCN)(NO)	127.4850	0.000	1	127.4850	0.000	1	128.6620	0.866	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(NS)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(NS)	129.1400	0.752	4	129.1400	0.566	4	128.6620	0.866	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHN)(NO)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHN)(NO)	127.6130	0.000	1	127.6130	0.000	1	128.6620	0.866	7	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CCC)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CCC)(OH)	122.9690	0.000	1	122.9690	0.000	1	125.4928	3.205	4	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(OH)	126.5360	0.936	2	126.5360	0.876	2	125.4928	3.205	4	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCP)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCP)(OH)	125.9300	0.000	1	125.9300	0.000	1	125.4928	3.205	4	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-2:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(SC)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(SC)	125.0910	0.000	1	125.0910	0.000	1	126.2920	1.927	10	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-2:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCC)(SH)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCC)(SH)	124.5950	0.000	1	124.5950	0.000	1	126.2920	1.927	10	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-2:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCS)(SC)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CCS)(SC)	129.0750	0.000	1	126.6543	1.710	8	126.2920	1.927	10	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-2:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCS)(SC)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCS)(SC)	126.3084	0.937	7	126.6543	1.710	8	126.2920	1.927	10	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)2(NC[6a])	121.6170	0.000	1	121.6170	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(NC)	125.7850	0.000	1	125.7850	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	123.8670	0.000	1	123.8670	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]Al)(NC[6a]H)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Al)(NC[6a]H)(NC)	124.4180	0.518	2	124.4180	0.268	2	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]As)(NC[6a]H)(NC[6a])	124.5970	0.000	1	124.5970	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NCC)(NTi)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(NTi)	121.8900	0.000	1	121.8900	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5]H)(NC[6a])	124.7630	0.000	1	124.7630	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	124.8816	1.481	5	124.8816	2.192	5	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(NS)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NS)	123.9120	0.745	4	123.9120	0.555	4	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Si)(NC[6a]H)(NC[6a])	131.5550	1.208	2	131.5550	1.459	2	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(NC)	127.3810	0.000	1	127.3810	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC)	125.1140	0.000	1	125.1140	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	126.8850	4.291	2	126.8850	18.410	2	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(NC)	124.9300	0.000	1	124.9300	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	126.1420	0.000	1	126.1420	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]C)(NC[6a]H)(NS)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(NS)	122.5850	0.000	1	122.5850	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCC)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(NC)	126.0435	1.114	2	126.0435	1.240	2	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(NC)	127.1895	3.315	8	127.2672	9.668	9	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(NCH)(NC)	127.8890	0.000	1	127.2672	9.668	9	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NHH)(NC)	124.7655	0.424	4	126.8063	6.990	23	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(NHH)(NC)	128.7510	2.515	3	126.8063	6.990	23	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(NC)	127.3253	2.569	14	126.8063	6.990	23	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(NHH)(NC)	122.0140	0.000	1	126.8063	6.990	23	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(NHH)(NC)	126.6620	0.000	1	126.8063	6.990	23	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NNiH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NNiH)(NC)	129.4580	0.000	1	126.8530	6.329	3	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NNiH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(NNiH)(NC)	125.5505	1.575	2	126.8530	6.329	3	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC)	124.0133	1.439	3	124.0133	2.070	3	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(NC[5a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[5a])	126.2305	1.180	2	126.2305	1.393	2	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	125.6490	0.000	1	125.6490	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]Pt)(NC[6a]H)(NC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]H)(NC)	130.2080	2.138	3	130.2080	4.571	3	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	124.1790	0.000	1	124.1790	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6a])	129.4620	0.000	1	129.4620	0.000	1	126.2629	7.520	74	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-2:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)(OCu)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(NC[6]H)(OCu)	123.0360	0.000	1	123.0360	0.000	1	126.5816	7.169	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-2:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(ORh)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|P<4>}	C(NC[6a]H)(NHH)(ORh)	128.7320	0.000	1	128.7320	0.000	1	126.5816	7.169	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-2:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(OCd)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(OCd)	129.6060	0.000	1	129.6060	0.000	1	126.5816	7.169	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-2:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(OH)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(OH)	125.7670	1.004	2	125.7670	1.008	2	126.5816	7.169	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(SRu)	124.4760	0.000	1	124.4760	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(SCu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(SCu)	125.8268	0.736	4	125.8268	0.542	4	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(SHg)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(SHg)	123.0980	0.000	1	123.0980	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCC)(SZn)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(SZn)	125.7480	0.000	1	125.7480	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(SCu)	126.1756	1.408	5	126.1756	1.984	5	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(SRh)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(SRh)	124.7720	0.000	1	124.7720	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(SRu)	127.2672	0.725	5	127.2672	0.525	5	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[5]H)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[5]H)(SRu)	129.0960	0.000	1	129.0960	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(SAg)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(SAg)	126.5415	1.940	2	126.5415	3.762	2	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)(SCu)	128.8348	2.560	4	128.8348	6.554	4	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(SCd)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(SCd)	126.3650	0.000	1	126.3650	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(SCu)	132.7130	1.248	3	132.7130	1.556	3	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(SNi)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(SNi)	125.9830	0.000	1	125.9830	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(SRe)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(SRe)	131.1820	0.000	1	131.1820	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHN)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHN)(SRu)	128.0210	0.890	2	128.0210	0.791	2	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NNiP)(SNi)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NNiP)(SNi)	133.4000	0.000	1	133.4000	0.000	1	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(SCu)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(SCu)	126.3727	2.311	24	126.3727	5.341	24	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(SPd)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(SPd)	126.3140	2.895	2	126.3140	8.380	2	127.0469	6.712	60	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(PC[6]2)(NC[6a])	126.4650	0.000	1	126.4650	0.000	1	125.0880	3.792	2	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(PC[6a]2)(NC[6a])	123.7110	0.000	1	123.7110	0.000	1	125.0880	3.792	2	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-3:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(SCu2)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCu2)(NP)	123.6620	0.000	1	123.6620	0.000	1	128.0118	8.924	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-3:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SCu2)(NP)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SCu2)(NP)	130.6200	0.000	1	130.6200	0.000	1	128.0118	8.924	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-3:N-2:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SRe2)(NN)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SRe2)(NN)	128.5923	2.117	3	128.5923	4.481	3	128.0118	8.924	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:S-3:S-2:	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(SPt2)(SPt)	N(C[6a]C[6a]2)(CSS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(SPt2)(SPt)	131.6480	0.349	2	131.6480	0.122	2	131.6480	0.122	2	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a]H)(NC[6a])	128.3740	0.000	1	128.3740	0.000	1	128.3740	0.000	1	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	128.8355	1.387	2	128.8355	1.923	2	128.4311	4.214	9	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC)	130.8260	0.000	1	130.8260	0.000	1	128.4311	4.214	9	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6a]H)(NC[6a])	128.7020	0.000	1	128.7020	0.000	1	128.4311	4.214	9	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[5a]C[5a]2)(NC[6a]H)(NC[6a])	128.2740	2.412	4	128.2740	5.819	4	128.4311	4.214	9	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	N(C[6a]C[6a]2)(CN[5a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(N[5a]C[5a]N[5a])(NC[6a]H)(NC[5a])	125.5850	0.000	1	125.5850	0.000	1	128.4311	4.214	9	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(NC[6a])	125.9912	1.152	5	125.9912	1.327	5	125.9912	1.327	5	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:In-1:	C[6a]-3:C[6a]-3:N-3:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(CNP)(In)	C[6a](C[6a]C[6a]C)2(NInC)	C(NC[6a]In)(PC[6]2)(NC[6a])	N(C[6a]C[6a]2)(CNP)(In)	C[6a](C[6a]C[6a]C)2(NInC){1|C<3>,2|H<1>}	C(NC[6a]In)(PC[6]2)(NC[6a])	124.1620	0.000	1	124.1620	0.000	1	124.1620	0.000	1	127.1021	6.638	286	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)2	N(C[6a]C[6,6a]C[6a])(CNN)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(NC[6a]H)(NHH)2	124.4330	0.000	1	124.4330	0.000	1	124.4330	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(CC[5a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	132.2710	0.000	1	132.2710	0.000	1	132.2710	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	128.6080	0.000	1	128.6080	0.000	1	129.1175	0.519	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(CC[6a]C[5])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	129.6270	0.000	1	129.6270	0.000	1	129.1175	0.519	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH)	C(NC[6a]H)3	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)3	124.3210	0.000	1	124.3210	0.000	1	124.8750	0.614	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)2	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(NHH)2	125.4290	0.000	1	125.4290	0.000	1	124.8750	0.614	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]H)(NC[6a]H)(COO)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]H)(COO)	125.8620	0.474	2	125.8620	0.224	2	126.8537	1.398	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]O)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]H)(CCH)	127.8455	0.192	2	127.8455	0.037	2	126.8537	1.398	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]C)(NC[6a]H)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]H)(NCH)	123.0560	0.000	1	123.0560	0.000	1	123.0560	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5]C[5,6a]N[5])(NC[6a]H)(CPdN)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]N[5])(NC[6a]H)(CPdN)	125.7570	0.000	1	125.7570	0.000	1	125.7570	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C-3:N-3:	N(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)(CC[5a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	126.4260	0.000	1	126.4260	0.000	1	126.4260	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[5a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2)(NC[6a]H)	128.3770	0.000	1	128.3770	0.000	1	128.3770	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[5a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(C[6]C[6]2)(NC[6a]H)	129.7370	0.000	1	129.7370	0.000	1	129.7370	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[6]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[5a]N[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]H)	128.7240	0.000	1	128.7240	0.000	1	128.7240	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]2)(NC[6a]Zr)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]Zr)(NC[6a]H)	130.3280	0.000	1	130.3280	0.000	1	128.4040	7.479	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(NCC)	124.4360	0.000	1	124.4360	0.000	1	128.4040	7.479	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)2	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)2	129.4260	0.949	2	129.4260	0.900	2	128.4040	7.479	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	124.8470	0.000	1	124.8470	0.000	1	124.8470	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	132.9540	0.000	1	132.9540	0.000	1	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	130.7990	0.000	1	130.7990	0.000	1	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	130.0560	2.502	2	130.0560	6.259	2	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	127.4707	0.456	3	127.4707	0.208	3	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	129.4140	0.000	1	129.4140	0.000	1	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	125.4685	0.862	2	125.4685	0.743	2	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	129.9410	0.000	1	129.8320	0.024	2	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	129.7230	0.000	1	129.8320	0.024	2	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	130.8330	0.000	1	130.8330	0.000	1	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	129.3170	0.310	2	128.9302	1.712	13	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	128.8598	1.418	11	128.9302	1.712	13	128.9699	3.440	26	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2)(NC[6a]H)	126.7805	1.541	2	126.7805	2.374	2	126.7805	2.374	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	121.7130	0.000	1	121.7130	0.000	1	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	135.3720	2.141	3	135.3720	4.586	3	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	123.7050	0.000	1	123.7050	0.000	1	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	127.6860	0.000	1	127.6860	0.000	1	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	128.9800	0.000	1	128.9800	0.000	1	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	131.4140	0.000	1	131.4140	0.000	1	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	129.2865	1.358	2	127.8858	3.387	8	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	127.4188	1.824	6	127.8858	3.387	8	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	126.6760	0.000	1	126.6760	0.000	1	128.7868	16.121	17	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NAl2)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NAl2)	126.5840	0.000	1	126.5840	0.000	1	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	124.4510	0.000	1	124.4510	0.000	1	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]Cu)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Cu)(NC[6a]H)	131.5480	0.764	2	131.5480	0.583	2	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NAlH)	124.5180	0.000	1	124.5180	0.000	1	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	126.4440	0.000	1	126.4440	0.000	1	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NPdH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NPdH)	130.8770	0.000	1	130.8770	0.000	1	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)2	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)2	127.8541	1.226	7	127.8541	1.504	7	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(NPdC)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(NPdC)	127.6337	0.610	3	127.6337	0.372	3	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]Pd)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Pd)(NC[6a]H)	127.5320	0.182	2	127.5320	0.033	2	127.8376	4.082	19	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:P-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a]W)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(PC[6a]W)	125.9250	0.000	1	125.9250	0.000	1	125.9250	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-3:N-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(PC[6a]Cr)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]Cr)(NC[6a]H)	125.0270	0.000	1	125.0270	0.000	1	125.1355	0.024	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:P-3:N-3:	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(PC[6a]Mo)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]P)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(PC[6a]Mo)(NC[6a]H)	125.2440	0.000	1	125.2440	0.000	1	125.1355	0.024	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCH)(COO)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(COO)	131.6340	0.000	1	131.6340	0.000	1	127.8279	6.252	7	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCH)(CCN)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(CCN)	125.2280	0.000	1	125.2280	0.000	1	127.8279	6.252	7	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCH)(CCO)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(CCO)	124.3450	0.000	1	124.3450	0.000	1	127.8279	6.252	7	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(CCO)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(CCO)	129.0580	0.556	2	129.0580	0.309	2	127.8279	6.252	7	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCH)(COO)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCH)(COO)	127.7360	0.887	2	127.7360	0.786	2	127.8279	6.252	7	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CNN)(NCH)	126.3935	2.338	2	126.3935	5.468	2	126.3935	5.468	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NNiO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NNiO)(CCN)	124.5160	0.000	1	124.5160	0.000	1	123.3500	1.438	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NNiO)(CHN)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NNiO)(CHN)	121.9040	0.000	1	121.9040	0.000	1	123.3500	1.438	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]C)(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(CCN)	124.1320	0.000	1	124.1320	0.000	1	123.3500	1.438	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NNiO)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NNiO)(CCN)	122.8480	0.000	1	122.8480	0.000	1	123.3500	1.438	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(NCC)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]H)(NCC)2	127.0440	0.000	1	127.0440	0.000	1	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(NHH)	124.5360	0.782	4	124.5360	0.611	4	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NCH)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)2	124.1450	0.000	2	124.1450	0.000	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(NHH)2	123.2610	0.000	1	123.2610	0.000	1	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NHH)	124.5705	1.111	2	124.5705	1.234	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)3	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)3	125.1605	2.586	2	125.1605	6.687	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)2	125.3854	2.097	17	125.3854	4.397	17	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]Pt)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]Pt)(NC[6a]H)2	127.2200	1.799	2	125.6935	5.170	12	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]Pt)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]H)2	125.3882	2.310	10	125.6935	5.170	12	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(NCH)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)2	124.8724	0.974	5	124.8724	0.949	5	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(NCH)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NCH)2	125.1570	0.000	1	125.1570	0.000	1	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)3	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)3	125.9380	0.920	3	125.9380	0.846	3	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)2	126.4564	2.355	20	126.4564	5.544	20	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]Pt)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]H)2	127.8857	1.088	6	127.8857	1.183	6	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C(NC[6a]H)(NCC)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)2	122.0300	0.000	1	122.0300	0.000	1	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(NHH)	125.7690	0.000	1	125.7690	0.000	1	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)2	124.5126	1.015	5	124.5126	1.030	5	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6]H)2	125.4280	2.595	2	125.4280	6.734	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NHH)2	125.6455	2.377	6	125.6455	5.650	6	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(NCH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NCH)	126.3025	0.583	2	126.3025	0.340	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NHH)	126.4891	1.808	18	126.4891	3.271	18	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(NOsC)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NOsC)	126.7982	2.418	4	126.7982	5.845	4	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)3	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)3	127.0377	1.957	15	127.0377	3.831	15	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)2	127.3053	1.638	6	127.3053	2.682	6	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]Pd)2(NC[6a]H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)2(NC[6a]H)	128.5920	0.000	1	128.5920	0.000	1	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH)	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)2	124.6724	2.027	5	124.6724	4.110	5	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)2	125.4160	0.228	2	125.4160	0.052	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH)	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	124.4440	0.000	1	124.4440	0.000	1	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH)	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]H)2	124.5364	1.089	16	124.5364	1.185	16	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NCH)	C(NC[6a]Pt)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]H)2	130.7830	2.633	2	130.7830	6.934	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH)	C(NC[6a]Pt)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]H)2	125.1550	1.803	2	125.1550	3.251	2	125.8947	4.314	165	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-3:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(SCu2)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(SCu2)	125.4285	2.221	4	125.4285	4.931	4	125.4285	4.931	4	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(CC[5a]N)(NC[6a]O)(COO)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(CC[5a]N)(NC[6a]O)(COO)	123.1370	0.000	1	123.1370	0.000	1	123.1370	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	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>}	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	120.4850	0.276	2	120.4850	0.076	2	120.4850	0.076	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)2(NC[6a]O)	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>}	C(C[6a]C[6a]2)2(NC[6a]O)	124.4280	0.000	1	124.4280	0.000	1	124.4280	0.000	1	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	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>}	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	121.5306	0.640	5	121.5306	0.410	5	121.4057	0.763	7	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(COO)	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>}	C(C[6a]C[6a]2)(NC[6a]O)(COO)	121.0935	1.633	2	121.0935	2.666	2	121.4057	0.763	7	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(NC[6a]O)(CCN)(COO)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(CCN)(COO)	122.7020	0.632	2	122.7020	0.400	2	122.7020	0.400	2	126.4064	7.187	283	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5]C[5]2)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(CH3)	127.7160	0.000	1	127.7160	0.000	1	128.8446	2.115	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(CCHH)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(CCHH)	128.6363	1.823	3	128.6363	3.324	3	128.8446	2.115	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(CF3)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(CF3)	127.2960	0.000	1	127.2960	0.000	1	128.8446	2.115	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]H)(CH3)	129.9453	0.599	3	129.9453	0.359	3	128.8446	2.115	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	128.3840	0.000	1	128.3840	0.000	1	128.2041	2.953	13	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6,6]N[6])(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6]N[6])(NC[6a]H)(CH3)	125.3290	0.000	1	125.3290	0.000	1	128.2041	2.953	13	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	126.3070	0.000	1	126.3070	0.000	1	128.2041	2.953	13	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6]2)(NC[6a]H)(CCHH)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(CCHH)	130.7060	0.000	1	130.7060	0.000	1	128.2041	2.953	13	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6]2)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	127.4240	0.000	2	127.4240	0.000	2	128.2041	2.953	13	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	127.2110	0.000	1	128.7256	2.359	7	128.2041	2.953	13	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[6]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(CH3)	128.9780	1.515	6	128.7256	2.359	7	128.2041	2.953	13	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	126.0270	0.000	1	126.0270	0.000	1	125.1235	1.633	2	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	124.2200	0.000	1	124.2200	0.000	1	125.1235	1.633	2	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]B)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]B)(NC[6a]H)(CH3)	125.0630	0.000	1	125.0630	0.000	1	127.3012	4.480	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(CC3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(CC3)	128.2933	2.404	4	128.2933	5.777	4	127.3012	4.480	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]Mo)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]Mo)(NC[6a]H)(CH3)	125.2080	0.000	1	125.2080	0.000	1	127.3012	4.480	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NReH)(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NReH)(CH3)	128.0450	0.000	1	128.0450	0.000	1	127.3012	4.480	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NRhH)(CH3)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NRhH)(CH3)	126.9210	0.000	1	126.9210	0.000	1	127.3012	4.480	8	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:C-4:	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(CC[6a]O)(NC[6a]O)(CHHO)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]O)(CHHO)	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:4:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6a]C)(O)	C[6a](C[6a]C[6a]F)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	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>}	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	127.3754	9.072	33	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NClC)	C(NC[6a]Cl)(CH3)(O)	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>}	C(NC[6a]Cl)(CH3)(O)	127.8920	0.000	1	127.8920	0.000	1	127.8920	0.000	1	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	C(NC[6a]H)(CH3)(O)	125.7860	0.000	1	125.7860	0.000	1	128.5122	2.542	5	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(NC[6a]H)(CH3)(O)	129.1937	0.541	4	129.1937	0.292	4	128.5122	2.542	5	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH){1|C<4>,1|N<3>,3|C<3>}	C(NC[6a]H)(CH3)(O)	126.0680	0.000	2	126.0680	0.000	2	126.2233	0.072	3	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH){1|H<1>,5|C<3>}	C(NC[6a]H)(CH3)(O)	126.5340	0.000	1	126.5340	0.000	1	126.2233	0.072	3	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:C-4:S-1:	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(S)	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C(NC[6a]H)(CCHH)(S)	128.6975	1.397	2	128.6975	1.950	2	128.6975	1.950	2	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C(NC[6a]H)(CF3)(O)	123.9640	0.000	1	123.9640	0.000	1	127.5598	3.518	8	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C(NC[6a]H)(CH3)(O)	126.6360	0.000	1	126.6360	0.000	1	127.5598	3.518	8	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)(NCH){2|C<4>,3|C<3>,3|H<1>}	C(NC[6a]H)(CH3)(O)	125.9820	0.000	1	125.9820	0.000	1	127.5598	3.518	8	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	128.3840	0.000	1	128.3840	0.000	1	127.5598	3.518	8	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(NC[6a]H)(CH3)(O)	129.2075	0.501	2	128.8780	0.241	4	127.5598	3.518	8	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(O)	128.5485	0.193	2	128.8780	0.241	4	127.5598	3.518	8	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHO)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CCHO)(O)	125.3939	1.749	18	125.3939	3.058	18	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)(CH3)(O)	124.2870	2.514	2	124.2870	6.323	2	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C(NC[6a]H)(CH3)(O)	125.0910	0.000	1	125.0910	0.000	1	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)(CC3)(O)	127.7260	0.000	1	127.7260	0.000	1	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CCHH)(O)	123.4620	0.000	1	123.4620	0.000	1	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(NC[6a]H)(CH3)(O)	128.5970	0.000	1	125.0912	4.907	5	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)(CH3)(O)	124.7230	0.763	3	125.0912	4.907	5	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(O)	122.6900	0.000	1	125.0912	4.907	5	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CHHS)(O)	125.9750	0.000	1	125.9750	0.000	1	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NCH){1|H<1>,1|N<2>,4|C<3>}	C(NC[6a]H)(CH3)(O)	123.0290	0.000	1	123.0290	0.000	1	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CC3)(O)	128.8827	0.628	6	128.8827	0.394	6	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CCCH)(O)	127.7787	0.941	7	127.7787	0.886	7	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CCHH)(O)	128.5245	0.980	25	128.5245	0.960	25	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CCHN)(O)	129.5045	1.071	2	129.5045	1.148	2	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(O)	128.9430	0.000	1	128.9430	0.000	1	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CHHN)(O)	129.0407	0.957	3	129.0407	0.916	3	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CHHO)(O)	128.7852	0.850	4	128.7852	0.723	4	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CHHS)(O)	128.7720	1.154	2	128.7720	1.332	2	127.3128	4.446	80	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:H-1:	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH)	C(NC[6a]H)(CH3)(H)	N(C[6a]C[6a]2)(CCH)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CH3)(H)	120.9320	0.000	1	120.9320	0.000	1	120.9320	0.000	1	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-1:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCl3)(N)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCl3)(N)	119.0740	0.000	1	119.0740	0.000	1	119.0740	0.000	1	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]2)(NCH){1|C<4>,1|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(O)	127.1940	0.000	1	127.1940	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]Br)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	124.1530	0.000	1	124.1530	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	129.1280	0.000	1	129.1280	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CHHO)(O)	128.4060	0.000	1	128.4060	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CC3)(O)	128.7420	0.000	1	128.7420	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	124.2950	0.000	1	124.2950	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	128.4170	0.000	1	128.4170	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	129.1740	0.818	3	129.1740	0.669	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]F)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CC3)(O)	128.3190	0.000	1	128.3190	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CF3)(O)	126.0710	0.000	1	126.0710	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	128.5100	0.000	1	128.5100	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]C)(C[6a]N[6a]O)(NCH){1|C<4>,2|C<3>}	C(NC[6a]H)(CH3)(O)	124.5930	0.000	1	124.5930	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CBrCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CBrCC)(O)	126.8590	0.000	1	126.8590	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCCH)(O)	128.0223	0.374	3	128.0223	0.140	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCFF)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CCFF)(O)	127.1110	0.369	2	127.1110	0.136	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHH)(O)	127.1930	0.956	2	127.1930	0.914	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CH3)(O)	128.4760	0.000	1	128.4760	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHI)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CHHI)(O)	127.0370	0.000	1	127.0370	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]H)(NCH){2|C<3>}	C(NC[6a]H)(CHHO)(O)	127.9835	0.461	4	127.9835	0.212	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CCCH)(O)	126.2702	2.112	5	126.2702	4.460	5	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(NC[6a]H)(CF3)(O)	128.3800	0.000	1	126.2125	9.396	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CF3)(O)	124.0450	0.000	1	126.2125	9.396	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|H<1>,1|O<2>,3|C<3>}	C(NC[6a]H)(CH3)(O)	125.2780	0.000	1	126.2562	3.446	9	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	126.0035	0.574	4	126.2562	3.446	9	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(O)	126.7535	2.851	4	126.2562	3.446	9	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	122.6135	0.636	2	122.6135	0.404	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	125.6550	0.000	1	125.6550	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	127.1940	0.000	1	127.1940	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	124.0078	0.694	5	124.0078	0.482	5	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	123.3960	0.000	1	123.3960	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CBr3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBr3)(O)	121.4660	1.031	2	121.4660	1.063	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC3)(O)	127.5957	3.030	25	127.6732	8.970	26	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(CC3)(O)	129.6110	0.000	1	127.6732	8.970	26	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCN)(O)	124.6572	4.786	4	124.6572	22.908	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	130.5500	0.000	1	127.9175	4.356	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	125.1280	0.000	1	127.9175	4.356	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCHH)(O)	129.4335	1.213	4	127.9175	4.356	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	127.3797	1.966	9	127.9175	4.356	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	125.4750	0.000	1	127.9175	4.356	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHH)(O)	129.2930	0.000	1	127.9175	4.356	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CCHN)(O)	129.7160	0.000	1	127.3113	4.675	14	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHN)(O)	127.1263	2.132	13	127.3113	4.675	14	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCl2H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCl2H)(O)	124.8700	0.000	1	124.8700	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CClHH)(O)	127.0023	2.373	3	127.0023	5.632	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CF3)(O)	128.3665	0.320	2	128.3665	0.103	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	125.7960	0.000	1	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CH3)(O)	123.6070	0.000	1	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	127.5110	3.199	8	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CH3)(O)	126.5880	2.854	2	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	127.3458	2.491	62	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(CH3)(O)	129.8330	0.000	1	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	124.1840	0.000	1	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CH3)(O)	130.0640	0.597	2	127.3366	6.587	78	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	125.9080	4.018	2	125.9080	16.143	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	128.7923	0.194	3	128.7923	0.038	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHS)(O)	127.5073	2.447	6	127.5073	5.988	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	123.7220	0.000	1	123.7220	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	124.2770	0.000	1	123.9160	0.261	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	123.5550	0.000	1	123.9160	0.261	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	131.9645	0.209	2	131.9645	0.044	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC3)(O)	124.0610	0.000	1	124.0610	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(O)	123.6530	0.000	1	123.6530	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	122.6695	1.214	4	122.6695	1.475	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	124.3395	0.322	2	124.5427	0.176	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CH3)(O)	124.9490	0.000	1	124.5427	0.176	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	123.6097	0.540	10	123.6097	0.292	10	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	123.7843	0.962	10	123.7843	0.926	10	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	125.1627	0.516	3	125.1627	0.266	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>,3|H<1>}	C(NC[6a]H)(CH3)(O)	126.1230	1.499	2	125.9784	2.166	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	126.6113	1.773	3	125.9784	2.166	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	C(NC[6a]H)(CH3)(O)	125.5270	0.000	1	125.9784	2.166	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(O)	124.2420	0.000	1	125.9784	2.166	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CBr3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBr3)(O)	123.6290	0.000	1	123.6290	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CBrHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBrHH)(O)	124.9920	0.000	1	124.9920	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC3)(O)	124.6215	0.477	2	124.9718	11.397	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CC3)(O)	125.3220	5.786	2	124.9718	11.397	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	124.9690	0.000	1	125.1993	2.280	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	125.5260	1.852	5	125.1993	2.280	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	124.4975	0.815	2	125.1993	2.280	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCl2H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCl2H)(O)	124.0500	0.146	2	124.0500	0.021	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCl3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCl3)(O)	127.1870	0.000	1	127.1870	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CClHH)(O)	124.3410	0.000	1	126.0163	6.069	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CClHH)(O)	126.8540	2.816	2	126.0163	6.069	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CH3)(O)	124.7940	0.000	1	125.1055	0.325	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	125.1488	0.446	4	125.1055	0.325	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	125.1517	0.886	3	125.1055	0.325	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	129.1610	0.000	1	129.1610	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHS)(O)	125.8010	1.794	3	125.4220	2.720	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CHHS)(O)	124.2850	0.000	1	125.4220	2.720	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(O)	123.3110	0.000	1	123.3110	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	124.0000	0.000	1	124.0000	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(CH3)(O)	129.5230	0.000	1	127.3843	3.430	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|N<2>,2|F<1>}	C(NC[6a]H)(CH3)(O)	126.3150	0.000	2	127.3843	3.430	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CF3)(O)	121.7897	0.226	4	121.7897	0.051	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CCHP)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CCHP)(O)	121.3050	0.000	1	121.3050	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CF3)(O)	122.0360	0.000	1	122.0360	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CHHP)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CHHP)(O)	120.9140	0.000	1	120.9140	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	127.4430	0.000	1	127.4430	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	124.1000	0.000	1	124.5235	0.359	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	124.9470	0.000	1	124.5235	0.359	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|N<3>}	C(NC[6a]H)(CC3)(O)	127.4750	0.000	1	124.8411	2.675	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC3)(O)	124.4022	1.261	6	124.8411	2.675	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(O)	127.8817	1.679	3	127.8817	2.820	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCCN)(O)	122.5765	1.982	2	122.5765	3.928	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	126.4780	0.000	1	126.2445	2.404	20	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	125.2035	0.419	2	126.2445	2.404	20	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	126.2593	1.647	16	126.2445	2.404	20	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	127.8550	0.000	1	126.2445	2.404	20	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHN)(O)	126.0731	3.360	9	126.0731	11.293	9	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHO)(O)	128.3670	4.027	3	128.3670	16.214	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CClHH)(O)	127.2079	2.157	7	127.2079	4.651	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	125.3870	1.115	3	125.3870	1.242	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	124.1820	1.269	2	126.5442	3.244	19	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	126.1047	1.927	4	126.5442	3.244	19	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	127.0428	1.594	13	126.5442	3.244	19	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CHHN)(O)	125.2320	1.864	2	126.2992	7.013	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	126.8328	3.064	4	126.2992	7.013	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(CHHO)(O)	126.3770	0.000	1	127.1073	0.889	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	127.4725	0.989	2	127.1073	0.889	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CBrCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CBrCC)(O)	128.3560	0.000	1	128.3560	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCCH)(O)	127.5500	0.000	1	127.6185	0.009	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(O)	127.6870	0.000	1	127.6185	0.009	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	C(NC[6a]H)(CCCN)(O)	127.2120	0.896	4	127.2120	0.803	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCHH)(O)	126.2994	2.645	5	126.8259	3.977	9	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	127.4840	0.483	4	126.8259	3.977	9	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCl3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCl3)(O)	127.8830	0.000	1	127.8830	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CF3)(O)	126.8450	0.000	1	126.8450	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CFFH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CFFH)(O)	126.4930	0.000	1	126.4930	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CFHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CFHH)(O)	128.3060	0.634	2	128.3060	0.401	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,1|C<3>,1|C<4>}	C(NC[6a]H)(CH3)(O)	130.1305	1.148	2	128.3370	3.841	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C(NC[6a]H)(CH3)(O)	126.9810	0.000	1	128.3370	3.841	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	127.5933	1.995	3	128.3370	3.841	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	129.5440	0.107	3	129.5440	0.012	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	128.0658	0.776	4	128.0658	0.603	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CHHP)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHP)(O)	125.3200	0.000	1	125.3200	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHS)(O)	127.3460	0.000	1	128.0530	1.000	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CHHS)(O)	128.7600	0.000	1	128.0530	1.000	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	124.0980	0.000	1	124.0980	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CC3)(O)	129.3540	0.000	1	128.6646	1.102	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(CC3)(O)	129.1690	0.658	3	128.6646	1.102	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC3)(O)	127.2910	0.662	2	128.6646	1.102	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(CC3)(O)	129.2090	0.000	1	128.6646	1.102	7	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(O)	126.1230	0.163	2	126.1230	0.026	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CCCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCN)(O)	127.3052	1.343	5	127.3052	1.803	5	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	126.6405	0.491	2	126.6405	0.242	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHN)(O)	122.1750	0.000	2	122.1750	0.000	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CCHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHO)(O)	124.7370	0.000	1	124.7370	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CF3)(O)	128.0330	0.209	2	128.1353	0.053	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	128.3400	0.000	1	128.1353	0.053	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]H)(CH3)(O)	126.6910	0.000	1	126.9169	7.726	16	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	126.9319	2.876	15	126.9169	7.726	16	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	125.7277	0.602	6	125.7277	0.362	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	128.7405	1.076	2	128.7405	1.157	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	127.3580	0.700	6	127.3580	0.490	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	126.9202	1.477	6	126.9202	2.181	6	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	126.6980	0.000	1	126.6980	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]O[6a]O)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	125.4280	0.000	1	125.4280	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBr2H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBr2H)(O)	124.7380	0.000	1	124.7380	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBr3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CBr3)(O)	125.1315	0.831	2	125.0671	1.546	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBr3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBr3)(O)	124.7470	1.364	5	125.0671	1.546	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBr3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CBr3)(O)	126.5390	0.000	1	125.0671	1.546	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBrCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CBrCC)(O)	124.6990	0.000	1	126.3963	2.592	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBrCC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBrCC)(O)	127.2450	0.929	2	126.3963	2.592	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBrCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBrCH)(O)	124.8670	0.000	1	124.8670	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CBrHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CBrHH)(O)	128.2780	0.000	1	128.2780	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CC3)(O)	126.7377	0.472	3	126.2613	0.548	12	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CC3)(O)	126.3100	0.000	1	126.2613	0.548	12	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CC3)(O)	126.0765	0.813	8	126.2613	0.548	12	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCF)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCF)(O)	122.7690	0.000	1	122.7690	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCCH)(O)	128.5745	1.559	2	127.6288	2.507	10	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C(NC[6a]H)(CCCH)(O)	125.4190	0.000	1	127.6288	2.507	10	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(O)	127.6743	1.497	7	127.6288	2.507	10	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCCN)(O)	126.9554	0.807	5	126.8028	2.204	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCN)(O)	123.6800	0.000	1	126.8028	2.204	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCCN)(O)	127.9825	0.412	2	126.8028	2.204	8	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCCO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCCO)(O)	127.4930	1.146	5	127.4930	1.314	5	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCFF)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCFF)(O)	126.9577	0.096	3	126.9577	0.009	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCFH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCFH)(O)	125.9270	0.000	1	125.9270	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	129.3370	0.000	1	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	126.3798	1.667	5	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	126.0213	3.255	3	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCHH)(O)	127.0305	0.910	2	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CCHH)(O)	129.6585	0.145	2	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CCHH)(O)	128.7740	1.295	2	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	127.2300	1.382	100	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(O)	127.6220	1.600	13	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHH)(O)	125.4610	0.000	1	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	128.0657	0.865	3	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(CCHH)(O)	127.8407	1.944	3	127.2999	2.242	135	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CCHN)(O)	127.2440	0.458	2	127.5587	1.516	33	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CCHN)(O)	128.0375	1.009	6	127.5587	1.516	33	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHN)(O)	127.5812	1.467	15	127.5587	1.516	33	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHN)(O)	125.6190	0.880	2	127.5587	1.516	33	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<3>,2|C<3>}	C(NC[6a]H)(CCHN)(O)	127.7209	0.651	8	127.5587	1.516	33	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHO)(O)	128.3998	1.626	13	128.3998	2.645	13	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHP)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHP)(O)	126.6835	0.053	2	126.6835	0.003	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCl2H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCl2H)(O)	126.7060	0.000	1	126.1655	0.392	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCl2H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCl2H)(O)	125.4280	0.000	1	126.1655	0.392	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCl2H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCl2H)(O)	126.2640	0.566	2	126.1655	0.392	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCl3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CCl3)(O)	123.8860	0.000	1	125.1835	3.367	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCl3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCl3)(O)	126.4810	0.000	1	125.1835	3.367	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CClCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CClCH)(O)	128.4025	0.639	2	128.4025	0.408	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CClHH)(O)	127.8400	0.560	2	128.7929	1.006	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CClHH)(O)	126.7790	0.000	1	128.7929	1.006	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CClHH)(O)	129.1042	0.582	4	128.7929	1.006	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CClHH)(O)	128.9862	0.955	9	128.7929	1.006	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CClHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(CClHH)(O)	129.7270	0.000	1	128.7929	1.006	17	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(O)	125.5703	0.336	3	125.5703	0.113	3	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CFFH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CFFH)(O)	126.0535	0.528	2	126.0535	0.279	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	128.4345	0.169	2	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	128.2405	0.642	4	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	128.2170	0.000	1	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(O)	128.4010	0.696	9	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|N<3>}	C(NC[6a]H)(CH3)(O)	128.2647	0.580	6	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CH3)(O)	127.7560	0.040	2	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|I<1>}	C(NC[6a]H)(CH3)(O)	128.5710	0.000	1	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(O)	127.6271	2.653	16	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CH3)(O)	129.3702	0.462	11	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CH3)(O)	128.1620	0.000	1	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	128.0191	1.278	190	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|O<2>}	C(NC[6a]H)(CH3)(O)	128.2708	1.461	6	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	127.7676	0.399	5	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CH3)(O)	127.2894	1.337	12	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(NC[6a]H)(CH3)(O)	128.3543	0.842	3	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(NC[6a]H)(CH3)(O)	129.4200	0.000	1	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	C(NC[6a]H)(CH3)(O)	127.6320	0.000	1	128.0527	1.815	271	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	128.0787	1.360	12	128.0853	1.479	16	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CHHN)(O)	128.3060	0.000	1	128.0853	1.479	16	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){3|C<3>}	C(NC[6a]H)(CHHN)(O)	128.0380	0.949	3	128.0853	1.479	16	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CHHO)(O)	127.7420	0.000	1	127.5377	2.519	25	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHO)(O)	127.5495	1.660	22	127.5377	2.519	25	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|N<3>}	C(NC[6a]H)(CHHO)(O)	127.3060	1.554	2	127.5377	2.519	25	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHP)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHP)(O)	127.1070	0.000	1	127.1070	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CHHS)(O)	126.6170	0.000	1	127.8451	2.503	23	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CHHS)(O)	129.0100	0.000	1	127.8451	2.503	23	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CHHS)(O)	129.4500	0.000	1	127.8451	2.503	23	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHS)(O)	127.7538	1.583	17	127.8451	2.503	23	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHS)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CHHS)(O)	127.8490	2.167	3	127.8451	2.503	23	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<2>,2|C<3>}	C(NC[6a]H)(CH3)(O)	121.0570	0.000	1	121.3242	0.169	5	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]I)2(NCH){1|N<3>,2|C<3>}	C(NC[6a]H)(CH3)(O)	121.3910	0.442	4	121.3242	0.169	5	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	125.3390	0.000	1	125.3390	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	126.1940	0.000	1	126.1940	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)(C[6a]O[6a]H)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(O)	126.1390	0.000	1	126.1390	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]O)2(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CCHH)(O)	130.0505	6.304	2	130.0505	39.739	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	128.8698	2.964	4	128.8698	8.787	4	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(O)	127.9235	0.829	2	127.9235	0.688	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CTeHH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CTeHH)(O)	127.7715	0.170	2	127.7715	0.029	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH)	C(NC[6a]H)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[5a]N[6a])(C[6a]N[6a]O)(NCH){3|C<3>}	C(NC[6a]H)(CF3)(O)	122.4810	0.000	1	122.4810	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C(NC[6a]H)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,1|H<1>}	C(NC[6a]H)(CC3)(O)	122.1810	0.106	2	122.1810	0.011	2	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]O)2(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]N[6a]O)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(O)	123.6610	0.000	1	123.6610	0.000	1	127.1333	4.519	1109	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(S)	123.1610	0.000	1	123.1610	0.000	1	127.3053	4.008	7	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(S)	128.7740	0.000	1	127.9960	0.802	6	127.3053	4.008	7	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(S)	127.8404	0.906	5	127.9960	0.802	6	127.3053	4.008	7	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(NCH){1|N<3>,2|O<1>}	C(NC[6a]H)(CH3)(O)	127.2360	0.000	1	127.2360	0.000	1	125.0705	9.379	2	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	C(NC[6a]H)(CH3)(O)	122.9050	0.000	1	122.9050	0.000	1	125.0705	9.379	2	127.1404	4.567	1219	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCFF)(NC)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCFF)(NC)	121.7487	2.120	3	121.7487	4.492	3	120.9338	3.556	5	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(CCFF)(NC)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCFF)(NC)	119.3520	0.000	1	119.3520	0.000	1	120.9338	3.556	5	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CF3)(NC)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CF3)(NC)	120.0710	0.000	1	120.0710	0.000	1	120.9338	3.556	5	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(OMg)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CH3)(OMg)	127.4130	0.000	1	127.4130	0.000	1	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCHH)(OFe)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(OFe)	124.0940	0.000	1	124.0940	0.000	1	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CHHN)(OFe)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(OFe)	123.4310	0.535	4	123.4310	0.286	4	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CCHN)(OCo)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHN)(OCo)	128.9795	1.975	2	128.9795	3.900	2	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(OH)	130.0722	0.653	4	130.0722	0.426	4	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(OZn)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(OZn)	123.9140	0.000	1	123.9140	0.000	1	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHN)(OCo)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(OCo)	128.9370	0.000	1	128.9370	0.000	1	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHN)(OIn)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(OIn)	124.2140	0.000	1	124.2140	0.000	1	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHN)(ONi)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CHHN)(ONi)	127.1140	0.000	1	127.1140	0.000	1	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CHHN)(OZn)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(OZn)	128.5030	0.000	1	128.5030	0.000	1	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CC3)(OPd)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CC3)(OPd)	129.3555	1.549	4	129.3555	2.400	4	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(OPd)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]H)(CH3)(OPd)	128.1260	0.492	2	127.4468	2.587	5	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(OPd)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(OPd)	126.9940	2.070	3	127.4468	2.587	5	127.3391	6.890	26	126.3060	11.951	31	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(NC[6a]H)(CH3)(CCH)	131.6223	0.073	3	131.6223	0.005	3	131.6223	0.005	3	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(CCH)	128.2150	2.312	2	128.2150	5.346	2	130.3554	7.405	5	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CF3)(CCH)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CF3)(CCH)	133.7790	0.000	1	133.7790	0.000	1	130.3554	7.405	5	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|C<4>,3|C<3>}	C(NC[6a]H)(CH3)(CCH)	132.0130	0.000	1	130.7840	3.021	2	130.3554	7.405	5	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(CH3)(CCH)	129.5550	0.000	1	130.7840	3.021	2	130.3554	7.405	5	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C-4:N-3:	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2)(CC[6a]HH)(NC[6a]H)	N(C[6a]C[6a]2)(CC[5]C)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2)(CC[6a]HH)(NC[6a]H)	124.1940	0.584	2	124.1940	0.341	2	124.1940	0.341	2	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CH3)(CCH)	129.3030	0.000	1	129.3030	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(CCH)	127.1220	0.888	2	127.0477	3.918	6	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	127.0105	2.502	4	127.0477	3.918	6	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CF3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CF3)(CCH)	129.5900	0.000	1	129.5900	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CH3)(CCC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCC)	125.6077	0.707	13	125.6077	0.499	13	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	125.2233	0.922	15	125.2233	0.849	15	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CH3)(CCP)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCP)	127.0040	0.000	1	127.0040	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CH3)(CHP)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CHP)	124.0780	0.000	1	124.0780	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	129.1270	0.000	1	129.1270	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	125.4040	0.000	1	125.4040	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CH3)(CCH)	125.0020	0.000	1	125.0020	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCCH)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCCH)(CCH)	126.2043	0.320	3	126.2043	0.102	3	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(CCH)	125.8023	0.630	7	125.9922	0.628	8	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CCHH)(CCH)	127.3220	0.000	1	125.9922	0.628	8	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(CCC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCC)	131.3812	0.908	4	131.3812	0.825	4	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	129.0855	2.842	2	130.4612	3.728	5	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(CCH)	131.5140	0.646	2	130.4612	3.728	5	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C(NC[6a]H)(CH3)(CCH)	131.1070	0.000	1	130.4612	3.728	5	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)(CH3)(CCH)	126.8920	0.000	1	128.7109	10.828	10	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|S<4>}	C(NC[6a]H)(CH3)(CCH)	130.3750	0.000	1	128.7109	10.828	10	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CH3)(CCH)	124.9063	1.978	3	128.7109	10.828	10	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	131.5755	1.558	4	128.7109	10.828	10	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(CCH)	128.8210	0.000	1	128.7109	10.828	10	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	128.0370	0.000	1	128.0370	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(CCC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(CCC)	131.1670	0.000	1	131.1670	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CCHH)(CCH)	127.1400	0.000	1	127.1400	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(CCC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCC)	128.7413	1.756	3	128.7413	3.084	3	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|B<3>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(CCH)	131.2440	0.000	1	129.6334	5.743	25	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(NC[6a]H)(CH3)(CCH)	133.3190	0.000	1	129.6334	5.743	25	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]H)(CH3)(CCH)	127.4560	1.618	3	129.6334	5.743	25	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	129.6952	2.318	20	129.6334	5.743	25	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)(CCH)	126.6630	0.000	1	126.6630	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH)	C(NC[6a]H)(CH3)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NCH){1|C<3>,2|C<4>}	C(NC[6a]H)(CH3)(CCH)	125.4300	0.000	1	125.4300	0.000	1	127.6926	7.133	104	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CH3)(NHH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CH3)(NHH)	124.0315	1.500	2	124.0315	2.249	2	125.4562	10.904	5	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(NPtH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCHH)(NPtH)	124.0075	0.289	2	126.4060	17.300	3	125.4562	10.904	5	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(CCHH)(NPtH)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(NPtH)	131.2030	0.000	1	126.4060	17.300	3	125.4562	10.904	5	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(NC[6a]O)(CCHH)(CCH)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(CCHH)(CCH)	122.3610	0.000	1	122.3610	0.000	1	121.8820	0.459	2	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(NC[6a]O)(CCHH)(CNO)	N(C[6a]C[6a]2)(CCC)(O)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(CCHH)(CNO)	121.4030	0.000	1	121.4030	0.000	1	121.8820	0.459	2	127.6538	8.394	121	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CCHH)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(CH3)	124.5850	0.000	1	124.5850	0.000	1	127.9285	10.932	10	127.9285	10.932	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)(CH3)2	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CH3)2	126.6025	0.883	2	126.6025	0.780	2	127.9285	10.932	10	127.9285	10.932	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(CH3)2	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(CH3)2	125.8930	0.588	2	125.8930	0.346	2	127.9285	10.932	10	127.9285	10.932	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]H)(CCHH)(CH3)	128.8920	0.000	1	131.3793	4.229	4	127.9285	10.932	10	127.9285	10.932	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CCHH)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CCHH)(CH3)	132.2083	1.490	3	131.3793	4.229	4	127.9285	10.932	10	127.9285	10.932	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CPdCH)(CH3)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CPdCH)(CH3)	124.1920	0.000	1	124.1920	0.000	1	127.9285	10.932	10	127.9285	10.932	10	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(CC[6a]HH)(NC[6a]H)(O)	127.4190	0.100	2	127.4190	0.010	2	127.4190	0.010	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(C[4]C[4]2H)(NC[6a]H)(O)	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C(C[4]C[4]2H)(NC[6a]H)(O)	127.6730	0.000	1	127.6730	0.000	1	127.6730	0.000	1	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6,6a]C[6a])(CC[3]O)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,3|C<3>}	C(C[3]C[3]2H)(NC[6a]H)(O)	126.3820	0.000	1	126.3820	0.000	1	126.3820	0.000	1	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CC[4]HH)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CC[4]HH)(NC[6a]H)(O)	128.0527	0.583	3	128.0527	0.340	3	128.0930	0.797	20	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CC[6a]2C)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CC[6a]2C)(NC[6a]H)(O)	128.5250	0.000	1	128.5250	0.000	1	128.0930	0.797	20	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CC[6a]C[6]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CC[6a]C[6]H)(NC[6a]H)(O)	128.4600	0.000	1	128.4600	0.000	1	128.0930	0.797	20	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CC[6a]HH)(NC[6a]H)(O)	128.7660	0.000	1	128.7660	0.000	1	128.0930	0.797	20	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CN[5]CH)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CN[5]CH)(NC[6a]H)(O)	127.8755	0.952	13	127.8755	0.907	13	128.0930	0.797	20	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(CN[6]HH)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(CN[6]HH)(NC[6a]H)(O)	129.5700	0.000	1	129.5700	0.000	1	128.0930	0.797	20	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[3]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[3]C[3]2H)(NC[6a]H)(O)	128.7300	1.152	4	128.7300	1.328	4	128.7300	1.328	4	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	128.8890	0.000	1	128.8890	0.000	1	129.1150	0.102	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[3x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	129.3410	0.000	1	129.3410	0.000	1	129.1150	0.102	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[4]C[4]2H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[4]C[4]2H)(NC[6a]H)(O)	128.5357	0.697	9	128.5357	0.486	9	128.4417	0.520	10	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[4]C[4]N[4]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[4]C[4]N[4]H)(NC[6a]H)(O)	127.5960	0.000	1	127.5960	0.000	1	128.4417	0.520	10	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[5]C[5]2Co)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[5]C[5]2Co)(NC[6a]H)(O)	129.2945	0.344	2	129.2945	0.119	2	128.0914	1.345	13	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[5]C[5]2Fe)(NC[6a]H)(O)	127.9888	0.997	8	127.9888	0.995	8	128.0914	1.345	13	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	126.8145	1.372	2	126.8145	1.884	2	128.0914	1.345	13	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[5]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	129.0600	0.000	1	129.0600	0.000	1	128.0914	1.345	13	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[6]C[6]2H)(NC[6a]H)(O)	129.2490	0.000	1	129.2490	0.000	1	128.6358	0.334	4	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6]C[6]2H)(NC[6a]H)(O)	128.6415	0.486	2	128.6415	0.236	2	128.6358	0.334	4	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]H)(NC[6a]H)(O)	128.0110	0.000	1	128.0110	0.000	1	128.6358	0.334	4	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(CN[5a]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(CN[5a]CH)(NC[6a]H)(O)	131.9240	0.000	1	131.9240	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]3)(NC[6a]H)(O)	131.0990	0.000	1	131.0990	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(CC[6a]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6a]H)(O)	125.6210	0.000	1	125.6210	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	124.2410	1.225	2	124.2410	1.500	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[5a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]H)(O)	127.1330	0.000	1	127.1330	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6]HH)(NC[6a]H)(O)	129.7490	0.000	1	129.7490	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]2H)(NC[6a]H)(O)	121.7985	0.291	2	121.7985	0.084	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]3)(NC[6a]H)(O)	122.6180	0.000	1	122.6180	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]CO)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]CO)(NC[6a]H)(O)	123.7823	0.234	3	123.7823	0.055	3	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]ClH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]ClH)(NC[6a]H)(O)	127.4230	1.218	2	127.4230	1.483	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]HN)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]HN)(NC[6a]H)(O)	128.5300	0.000	1	128.5300	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CC[6a]HO)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]HO)(NC[6a]H)(O)	130.2350	0.000	1	130.2350	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(CN[6]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CN[6]HH)(NC[6a]H)(O)	128.9910	0.000	1	128.9910	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]2H)(NC[6a]H)(O)	122.5630	0.000	1	122.5630	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	122.4170	0.000	1	122.4170	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]HN)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]HN)(NC[6a]H)(O)	122.8160	0.000	1	122.8160	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CN[5]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CN[5]CH)(NC[6a]H)(O)	122.8010	0.000	1	122.8010	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CN[5]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	123.0205	1.251	4	123.0205	1.565	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CN[6]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CN[6]HH)(NC[6a]H)(O)	124.2180	0.000	1	124.2180	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(CN[5]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,2|N<3>}	C(CN[5]HH)(NC[6a]H)(O)	128.7850	0.000	1	126.9222	1.429	5	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH)	C(CN[5]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	126.4565	0.678	4	126.9222	1.429	5	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH)	C(CC[6]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(CC[6]CH)(NC[6a]H)(O)	127.7356	0.711	5	127.7356	0.506	5	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(CC[6a]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]2H)(NC[6a]H)(O)	121.2560	0.000	1	121.2560	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(CC[6a]3)(NC[6a]H)(O)	127.6020	0.000	1	127.6020	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]Cl)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	121.9590	0.000	1	121.9590	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(CC[4]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(CC[4]HH)(NC[6a]H)(O)	122.4430	0.000	1	122.4430	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(CN[6,6]CC)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(CN[6,6]CC)(NC[6a]H)(O)	125.9875	3.574	2	125.9875	12.777	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(CC[6a]3)(NC[6a]H)(O)	128.2400	0.000	1	128.2400	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	122.9120	0.000	1	122.9120	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(CC[5a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]H)(O)	126.8993	2.863	3	126.8993	8.198	3	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(CC[6a]3)(NC[6a]H)(O)	127.3397	2.779	4	127.3397	7.722	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(CC[6a]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6a]H)(O)	123.1915	1.616	2	123.1915	2.611	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	126.5637	2.094	4	126.5637	4.386	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|H<1>,1|S<2>}	C(CC[6a]3)(NC[6a]H)(O)	128.4185	0.494	2	125.9875	7.961	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(CC[6a]3)(NC[6a]H)(O)	123.5565	0.033	2	125.9875	7.961	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(CC[6a]HO)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HO)(NC[6a]H)(O)	123.1190	0.000	1	123.1190	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	127.5420	0.000	1	127.5420	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	127.3970	0.465	2	127.3970	0.216	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[3]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[3]CH)(NC[6a]H)(O)	128.8760	0.000	2	128.8760	0.000	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5]CH)(NC[6a]H)(O)	128.7980	0.537	2	128.7980	0.289	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5]FF)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5]FF)(NC[6a]H)(O)	124.3690	0.000	1	124.3690	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5]HH)(NC[6a]H)(O)	127.7880	0.927	4	127.7880	0.859	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5a]C[6a]O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5a]C[6a]O)(NC[6a]H)(O)	129.5080	0.000	1	129.5080	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[5a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]H)(O)	125.1653	2.178	4	125.1653	4.743	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6]CH)(NC[6a]H)(O)	128.2920	0.000	1	128.2920	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6]HH)(NC[6a]H)(O)	127.1320	1.785	2	127.1320	3.185	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]2C)(NC[6a]H)(O)	125.4993	2.672	3	125.4993	7.141	3	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]2H)(NC[6a]H)(O)	129.7460	0.000	1	128.9260	1.345	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]2H)(NC[6a]H)(O)	128.1060	0.000	1	128.9260	1.345	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]2O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]2O)(NC[6a]H)(O)	129.0680	0.000	1	129.0680	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(CC[6a]3)(NC[6a]H)(O)	127.0090	0.000	1	127.0090	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]CC)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]CC)(NC[6a]H)(O)	126.4218	2.226	5	126.4218	4.955	5	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]CF)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]CF)(NC[6a]H)(O)	126.4100	0.000	1	126.4100	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6a]H)(O)	128.3803	1.400	6	127.7240	3.009	8	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]CH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]CH)(NC[6a]H)(O)	125.7550	0.964	2	127.7240	3.009	8	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]CO)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]CO)(NC[6a]H)(O)	128.0102	0.642	5	128.2667	0.724	6	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]CO)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(CC[6a]CO)(NC[6a]H)(O)	129.5490	0.000	1	128.2667	0.724	6	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]ClH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(CC[6a]ClH)(NC[6a]H)(O)	125.0370	0.000	1	125.2170	0.065	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]ClH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]ClH)(NC[6a]H)(O)	125.3970	0.000	1	125.2170	0.065	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]FF)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]FF)(NC[6a]H)(O)	126.7685	1.283	2	126.7685	1.647	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]FH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]FH)(NC[6a]H)(O)	126.2730	0.000	1	126.2730	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	125.2338	0.899	4	125.7409	1.604	12	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|F<1>,1|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	125.4300	0.515	3	125.7409	1.604	12	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	127.5120	1.195	2	125.7409	1.604	12	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(CC[6a]HH)(NC[6a]H)(O)	124.9965	1.931	2	125.7409	1.604	12	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){2|Cl<1>,1|C<3>}	C(CC[6a]HH)(NC[6a]H)(O)	126.6490	0.000	1	125.7409	1.604	12	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HO)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(CC[6a]HO)(NC[6a]H)(O)	128.9270	0.000	1	127.1090	2.951	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HO)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]HO)(NC[6a]H)(O)	126.5030	1.491	3	127.1090	2.951	4	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	127.0430	0.000	1	127.3748	0.995	12	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]H)(O)	127.4050	1.040	11	127.3748	0.995	12	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5]PdH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5]PdH)(NC[6a]H)(O)	128.8333	0.491	3	128.8333	0.241	3	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(CN[5a]HH)(NC[6a]H)(O)	128.5830	0.000	1	127.7805	1.288	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5a]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5a]HH)(NC[6a]H)(O)	126.9780	0.000	1	127.7805	1.288	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[6]HH)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[6]HH)(NC[6a]H)(O)	127.2575	0.633	2	127.2575	0.401	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C(CC[5a]FF)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(CC[5a]FF)(NC[6a]H)(O)	131.1700	0.000	1	131.1700	0.000	1	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH)	C(CC[5a]N[6]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCH){1|N<2>,2|C<3>,2|H<1>}	C(CC[5a]N[6]H)(NC[6a]H)(O)	129.9040	0.139	2	129.9040	0.019	2	126.6039	5.556	153	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:S-1:	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5a]CH)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CCS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5a]CH)(NC[6a]H)(S)	129.1462	3.082	6	129.1462	9.501	6	129.1462	9.501	6	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3,5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3,5]C[3,5]C[5]O[3])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3,5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(NC[6a]H)(O)	127.4420	0.000	1	127.4420	0.000	1	127.4420	0.000	1	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	125.6050	0.000	1	125.6050	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2C)(NC[6a]H)(O)	123.9450	1.039	8	123.9450	1.081	8	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	128.0360	0.000	1	128.0360	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[3]C[3]O[3]N)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]O[3]N)(NC[6a]H)(O)	125.9930	0.000	1	125.9930	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[3]C[3]2C)(NC[6a]H)(O)	128.0960	0.000	1	128.0960	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	124.7010	0.000	1	124.7010	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	125.0730	0.000	1	125.0730	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[3]C[3]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2C)(NC[6a]H)(O)	128.2030	0.000	1	128.2030	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	123.5527	0.263	3	123.5527	0.069	3	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3]C[3,5]O[3]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3]C[3,5]O[3]H)(NC[6a]H)(O)	126.2365	0.663	2	126.2365	0.439	2	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3]C[3]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2C)(NC[6a]H)(O)	126.2590	0.000	1	126.2590	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3]C[3]2F)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2F)(NC[6a]H)(O)	126.9720	0.000	1	126.9720	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3]C[3]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]2H)(NC[6a]H)(O)	125.6612	2.058	6	125.6612	4.236	6	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]N[3]H)(NC[6a]H)(O)	126.4320	0.000	1	126.4320	0.000	1	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	126.9674	1.092	10	126.9674	1.193	10	125.7359	3.067	39	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	124.2940	0.000	1	124.2940	0.000	1	125.8720	10.363	8	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	121.2220	1.672	2	121.2220	2.794	2	125.8720	10.363	8	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	128.4650	0.000	1	128.4650	0.000	1	125.8720	10.363	8	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	127.9300	0.000	1	127.9433	0.043	4	125.8720	10.363	8	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|H<1>,2|C<3>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	127.9185	0.351	2	127.9433	0.043	4	125.8720	10.363	8	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3x6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(O)	128.0060	0.000	1	127.9433	0.043	4	125.8720	10.363	8	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[4]C[4]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(NC[6a]H)(O)	127.9150	2.161	2	127.9150	4.670	2	125.1288	7.504	9	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[4]C[4]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(C[4]C[4]2C)(NC[6a]H)(O)	122.8833	1.489	3	122.8833	2.217	3	125.1288	7.504	9	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[4]C[4]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(NC[6a]H)(O)	123.3630	0.066	2	123.3630	0.004	2	125.1288	7.504	9	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[4]C[4,5]C[4]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[4]C[4,5]C[4]H)(NC[6a]H)(O)	126.2500	0.000	1	126.2500	0.000	1	125.1288	7.504	9	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[4]C[4]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(NC[6a]H)(O)	128.7030	0.000	1	128.7030	0.000	1	125.1288	7.504	9	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(NC[6a]H)(O)	124.9010	0.000	1	124.9010	0.000	1	124.6582	12.049	5	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	121.4865	3.023	2	121.4865	9.138	2	124.6582	12.049	5	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]2H)(NC[6a]H)(O)	127.3400	0.000	1	127.3400	0.000	1	124.6582	12.049	5	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(NC[6a]H)(O)	128.0770	0.000	1	128.0770	0.000	1	124.6582	12.049	5	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	130.7063	0.898	3	130.7063	0.806	3	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]H)(O)	128.2063	1.393	3	128.2063	1.940	3	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	128.1745	0.704	2	128.1190	1.315	24	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.6170	0.035	2	128.1190	1.315	24	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	128.2614	1.236	17	128.1190	1.315	24	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.6103	1.353	3	128.1190	1.315	24	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(NC[6a]H)(O)	128.7080	0.000	1	128.7080	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5]C[5,6a]C[5]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(NC[6a]H)(O)	123.4170	0.000	1	123.4170	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	120.7190	0.000	1	120.7190	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	126.2650	3.641	3	126.2650	13.258	3	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|Br<1>,2|C<3>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	128.2740	0.000	1	127.7410	0.568	2	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.2080	0.000	1	127.7410	0.568	2	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[5]C[5]2Co)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Co)(NC[6a]H)(O)	128.7310	0.588	3	128.7310	0.346	3	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]H)(O)	122.5280	0.000	1	122.5280	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	125.5631	2.574	10	125.5631	6.623	10	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>}	C(C[5]C[5]2Fe)(NC[6a]H)(O)	127.9725	0.069	2	127.9725	0.005	2	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	126.1890	0.000	1	126.1890	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]C)(NC[6a]H)(O)	128.0710	1.304	2	128.0710	1.700	2	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5,6]C[5]Mo)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]Mo)(NC[6a]H)(O)	127.8570	0.000	1	127.8570	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5,6a]2O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]2O)(NC[6a]H)(O)	127.1850	0.000	1	127.1850	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5,6a]C[5]O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(NC[6a]H)(O)	128.2110	0.000	1	128.2110	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5,6a]C[5a]N[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5a]N[5])(NC[6a]H)(O)	128.4510	0.000	1	128.4510	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(NC[6a]H)(O)	127.5050	0.202	8	127.5050	0.041	8	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]H)(O)	126.9410	0.000	1	127.0240	0.014	2	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]H)(O)	127.1070	0.000	1	127.0240	0.014	2	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(NC[6a]H)(O)	127.7690	0.000	1	127.7690	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2O)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2O)(NC[6a]H)(O)	129.7730	0.000	1	129.7730	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	126.5881	2.280	8	126.5422	4.062	10	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(NC[6a]H)(O)	126.3585	0.288	2	126.5422	4.062	10	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|Br<1>,1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.3650	0.000	1	127.2817	1.745	19	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.2555	1.445	16	127.2817	1.745	19	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|N<2>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(O)	127.4500	0.133	2	127.2817	1.745	19	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(NC[6a]H)(O)	128.8127	0.710	8	128.8127	0.504	8	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]S[5]C)(NC[6a]H)(O)	128.5710	0.000	1	128.5710	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(NC[6a]H)(O)	129.3440	0.000	1	129.3440	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[6a]C[5]S[5])(NC[6a]H)(O)	122.4085	0.196	2	122.4085	0.038	2	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]S[5]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]S[5]2C)(NC[6a]H)(O)	126.8020	0.000	1	126.8020	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH)	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(NC[6a]H)(O)	124.7860	0.000	1	124.7860	0.000	1	127.3558	4.084	116	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:S-1:	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(S)	128.2440	0.000	1	128.2440	0.000	1	128.6240	0.289	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:S-1:	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5]C[5]2Fe)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]H)(S)	129.0040	0.000	1	129.0040	0.000	1	128.6240	0.289	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH)	C(C[6,6]C[3x6]C[6,6]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(NC[6a]H)(O)	121.0890	0.000	1	121.0890	0.000	1	124.3060	20.698	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6,6]C[6,6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6,6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6,6]C[6,6]C[6]2)(NC[6a]H)(O)	127.5230	0.000	1	127.5230	0.000	1	124.3060	20.698	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[6]C[6]2H)(NC[6a]H)(O)	126.2920	0.000	1	126.2920	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCH){2|C<3>}	C(C[6]C[6]2H)(NC[6a]H)(O)	127.2460	0.000	1	127.2460	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(NC[6a]H)(O)	123.0920	0.000	1	123.0920	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	124.1823	1.695	3	124.1823	2.872	3	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6]C)(NC[6a]H)(O)	122.8350	0.000	1	122.8350	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|H<1>,2|C<3>}	C(C[6]C[6]2H)(NC[6a]H)(O)	123.6020	0.000	1	123.6020	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(O)	128.8430	0.000	1	128.8430	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[6]C[6]2C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2C)(NC[6a]H)(O)	123.1630	0.000	1	123.1630	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[3]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[3]C[6]2)(NC[6a]H)(O)	126.7360	0.000	1	126.7360	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]C)(NC[6a]H)(O)	129.7330	0.000	1	129.7330	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6,6]C[6]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6,6]C[6]H)(NC[6a]H)(O)	127.3400	1.424	2	127.3400	2.028	2	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(O)	127.5295	0.650	2	126.7553	3.245	8	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(O)	126.4972	2.034	6	126.7553	3.245	8	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(O)	128.2681	0.938	7	128.2681	0.879	7	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]O[6]C)(NC[6a]H)(O)	129.4330	0.000	1	129.4330	0.000	1	126.6707	4.986	30	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:S-1:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2H)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(NC[6a]H)(S)	126.0703	1.260	3	126.0703	1.588	3	127.6518	5.625	5	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:S-1:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]2N)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2N)(NC[6a]H)(S)	130.5560	0.000	1	130.5560	0.000	1	127.6518	5.625	5	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:S-1:	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CC[6]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(NC[6a]H)(S)	129.4920	0.000	1	129.4920	0.000	1	127.6518	5.625	5	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	P-4:N-3:S-1:	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(PC[6a]2O)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(PC[6a]2O)(NC[6a]H)(S)	124.2200	0.000	1	124.2200	0.000	1	128.4950	36.551	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	P-4:N-3:S-1:	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(PC[6]2S)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CPS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(PC[6]2S)(NC[6a]H)(S)	132.7700	0.000	1	132.7700	0.000	1	128.4950	36.551	2	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(O)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	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>}	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	122.1057	0.466	3	122.1057	0.217	3	122.1057	0.217	3	126.8989	5.293	438	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(CC[5a]HH)(NC[6a]H)(NN)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]H)(NN)	130.2340	1.773	2	130.2340	3.145	2	128.1987	6.646	4	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]CH)(NC[6a]H)(NS)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6a]H)(NS)	126.1635	0.474	2	126.1635	0.225	2	128.1987	6.646	4	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CN[5]HH)(NC[6a]H)(ORu)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]H)(ORu)	125.2567	1.985	3	125.2567	3.939	3	127.3428	10.793	5	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5]HH)(NC[6a]H)(OMo)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]H)(OMo)	129.3200	0.000	1	129.3200	0.000	1	127.3428	10.793	5	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-2:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CN[5]HH)(NC[6a]H)(ORu)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]H)(ORu)	131.6240	0.000	1	131.6240	0.000	1	127.3428	10.793	5	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:N-2:	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(CC[3x6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]H)(NC[6a])	128.0660	0.000	1	128.0660	0.000	1	128.0660	0.000	1	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-2:	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[4]C[4]2H)(NC[6a]H)(OPd)	N(C[6a]C[6a]2)(CC[4]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(NC[6a]H)(OPd)	126.7700	0.000	1	126.7700	0.000	1	126.7700	0.000	1	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-2:	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5]C[5]N[5]H)(NC[6a]H)(OCo)	N(C[6a]C[6a]2)(CC[5]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]H)(OCo)	122.8705	0.083	2	122.8705	0.007	2	122.8705	0.007	2	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-2:	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6]C[6]N[6]H)(NC[6a]H)(ONi)	N(C[6a]C[6a]2)(CC[6]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]N[6]H)(NC[6a]H)(ONi)	122.4200	2.840	2	122.4200	8.064	2	122.4200	8.064	2	126.3284	10.571	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(CC[6a]CH)(NC[6a]H)(CCC)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6a]H)(CCC)	125.0570	0.000	1	125.0570	0.000	1	126.6072	2.691	4	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(CC[6a]HH)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(NC[6a]H)(CCH)	125.6290	0.000	1	127.1855	4.845	2	126.6072	2.691	4	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(CC[6a]HH)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(CCH)	128.7420	0.000	1	127.1855	4.845	2	126.6072	2.691	4	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(CC[6a]HH)(NC[6a]H)(CCH)	N(C[6a]C[6a]2)(CCC)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]H)(CCH)	127.0010	0.000	1	127.0010	0.000	1	126.6072	2.691	4	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(CC[5a]HH)(NC[6a]H)(NCuC)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]H)(NCuC)	128.7185	0.182	2	128.7185	0.033	2	128.9665	1.586	4	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(CC[5a]HH)(NC[6a]H)(NHN)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]H)(NHN)	127.7180	0.000	1	127.7180	0.000	1	128.9665	1.586	4	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:N-3:	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(CC[5a]HH)(NC[6a]H)(NRuC)	N(C[6a]C[6a]2)(CCN)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]H)(NRuC)	130.7110	0.000	1	130.7110	0.000	1	128.9665	1.586	4	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5,6]-4:N-3:N-3:	N(C[6a]C[6a]2)(CC[5,6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[5,6]N)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	123.7810	0.000	1	123.7810	0.000	1	123.7810	0.000	1	127.3418	4.778	9	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	5:3:1:	C-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[3x3,4,3x5,14x6]-5:N-3:O-1:	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(O)	N(CC[3x3,4,3x5,14x6]O)(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(O)	125.8090	3.352	2	125.8090	11.234	2	125.8090	11.234	2	125.8090	11.234	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	5:3:2:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x3,4,3x5,14x6]-5:N-3:S-2:	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SIr)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SIr)	123.8910	1.430	2	123.8910	2.044	2	123.7430	1.088	3	123.7430	1.088	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	5:3:2:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3x3,4,3x5,14x6]-5:N-3:S-2:	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SRh)	N(CC[3x3,4,3x5,14x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6a]H)(SRh)	123.4470	0.000	1	123.4470	0.000	1	123.7430	1.088	3	123.7430	1.088	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:O-1:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	127.5710	0.000	1	127.5710	0.000	1	126.7437	1.721	9	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:O-1:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<2>,1|C<3>,1|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	127.1870	0.000	1	126.5114	2.236	5	126.7437	1.721	9	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:O-1:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,1|H<1>,1|O<2>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	125.0520	1.304	2	126.5114	2.236	5	126.7437	1.721	9	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:O-1:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	127.6330	0.116	2	126.5114	2.236	5	126.7437	1.721	9	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:O-1:	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	N(CC[5x3,5x5,20x6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(NC[6a]H)(O)	126.8550	1.385	3	126.8550	1.917	3	126.7437	1.721	9	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:S-1:	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(S)	127.0080	1.830	3	127.0080	3.350	3	127.0080	3.350	3	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CC[5x3,5x5,20x6]O)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(O)	127.8530	0.000	1	127.8530	0.000	1	127.8530	0.000	1	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x4]-6:N-3:O-1:	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[5x4]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[5x4]C[3,3x4]C[3,4,4]C[3x4]C[5x4]C)(NC[6a]H)(O)	130.1410	0.000	1	130.1410	0.000	1	130.1410	0.000	1	127.1222	2.419	14	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:2:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:N-3:S-2:	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(SIr)	N(CC[5x3,5x5,20x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6a]H)(SIr)	121.6070	0.000	1	121.6070	0.000	1	121.6070	0.000	1	121.6070	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	6:3:3:	C-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5x3,5x5,20x6]-6:C[6a]-3:N-3:	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	N(CC[5x3,5x5,20x6]C[6a])(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]H)(NCH){1|H<1>,4|C<3>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)(NC[6a]H)	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	121.4610	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	7:3:1:	C-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[4x3,4,4]-7:N-3:O-1:	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	N(CC[4x3,4,4]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[4x3,4,4]C[3,3,3x4]C[3,3]2C[3x3]2C[3x4])(NC[6a]H)(O)	129.0550	0.000	1	129.0550	0.000	1	129.0550	0.000	1	129.0550	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN)	C(NC[6a]N)(CCH)(O)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(CCH)(O)	116.9050	0.000	1	116.9050	0.000	1	118.3470	1.887	3	118.3470	1.887	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN)	C(NC[6a]N)(CCH)(O)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(CCH)(O)	119.0680	0.809	2	119.0680	0.654	2	118.3470	1.887	3	118.3470	1.887	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(COO)(CC)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	122.4500	0.000	1	122.4500	0.000	1	122.4500	0.000	1	124.3252	5.019	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(COO)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(OC)(O)	123.0410	0.000	1	123.0410	0.000	1	123.0410	0.000	1	124.3252	5.019	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]C)2(NCO)	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(OH)	C[6a](C[6a]C[6a]C)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(NC[6a])(H)	124.3400	0.000	1	124.3400	0.000	1	124.3400	0.000	1	124.3252	5.019	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C(NC[6a]O)(OC)(O)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(OC)(O)	127.4700	0.000	1	127.4700	0.000	1	127.4700	0.000	1	124.3252	5.019	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(O)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]O)(O)	127.3795	1.080	2	127.3795	1.166	2	128.5691	6.743	10	127.9366	10.469	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(O)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]O)(O)	131.7360	0.000	1	129.8353	3.750	3	128.5691	6.743	10	127.9366	10.469	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(O)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]O)(O)	128.8850	1.442	2	129.8353	3.750	3	128.5691	6.743	10	127.9366	10.469	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(O)	N(C[6a]C[6a]2)(CC[6a]O)(OH)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]O)(O)	128.2852	3.316	5	128.2852	10.994	5	128.5691	6.743	10	127.9366	10.469	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-2:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CHN)(SCu)	C[6a](C[6a]C[6a]C)2(NCS)	C(NC[6a]Cu)(NC[6a]S)(H)	N(C[6a]C[6a]2)(CHN)(SCu)	C[6a](C[6a]C[6a]C)2(NCS){1|C<3>,2|H<1>}	C(NC[6a]Cu)(NC[6a]S)(H)	121.6120	0.000	1	121.6120	0.000	1	121.6120	0.000	1	127.9366	10.469	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	N(C[6a]C[6a]2)(CC[5a]N)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]N)(NN)	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	119.5650	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C(NC[6a]N)(CF3)(O)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(CF3)(O)	118.8830	0.000	1	118.8830	0.000	1	119.1867	0.470	4	121.0668	18.025	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	C(NC[6a]N)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(CC3)(O)	119.2880	0.802	3	119.2880	0.643	3	119.1867	0.470	4	121.0668	18.025	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:4:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C(NC[6a]O)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(CH3)(O)	128.5870	0.000	1	128.5870	0.000	1	128.5870	0.000	1	121.0668	18.025	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	4:3:2:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:N-2:	N(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(NCN)	C(CC[6a]HH)(NC[6a]N)(NS)	N(C[6a]C[6a]2)(CCN)(NC)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]N)(NS)	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	119.1690	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:2:1:	C[6a]-3:C-3:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<3>}	C(NC[6a]C)(OC)(O)	117.2765	0.469	2	117.2765	0.220	2	117.2765	0.220	2	119.1526	7.158	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(OC)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	C(NC[6a]2)(OC)(O)	119.8455	3.849	2	119.8455	14.813	2	120.4033	8.340	3	119.1526	7.158	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a])2(NC[6a]C)	C(NC[6a]2)(OC)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,1|N<3>,1|O<2>}	C(NC[6a]2)(OC)(O)	121.5190	0.000	1	121.5190	0.000	1	120.4033	8.340	3	119.1526	7.158	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C-3:C-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a,6a])(N[6a]N[6a])(NCC){2|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	118.0125	2.321	2	118.0125	5.389	2	118.0125	5.389	2	121.4505	18.353	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](N[6a]C[6a])2(NC[6a]C)	C(NC[6a]2)(NCC)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NCC)(O)	123.7950	0.000	1	123.7950	0.000	1	124.8885	2.391	2	121.4505	18.353	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](N[6a]C[6a])2(NC[6a]C)	C(NC[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a]C)(O)	125.9820	0.000	1	125.9820	0.000	1	124.8885	2.391	2	121.4505	18.353	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:S[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(CH3)(O)	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C[6a](N[6a]C[6a])(S[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C(NC[6a]2)(CH3)(O)	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	123.4130	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	2:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	N[6a]-2:N[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]N[6a]2)(COO)2	C[6a](N[6a]C[6,6a])(N[6a]C[6a]H)(NCC){1|C<3>,1|N<3>,1|O<1>}	C(NC[6a]C)(OC)(O)	117.5795	2.706	2	117.5795	7.323	2	117.5795	7.323	2	117.5795	7.323	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(H)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(H)(O)	121.3575	0.199	2	121.3575	0.039	2	121.3575	0.039	2	121.5425	0.066	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:S-1:S-1:	N(C[6a]C[6a]N[6a])2(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(S)2	N(C[6a]C[6a]N[6a])2(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(S)2	121.7275	0.152	2	121.7275	0.023	2	121.7275	0.023	2	121.5425	0.066	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[5a,6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[5a,6a]N[6a])(COO)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[5a,6a]N[6a])(COO)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(NC[6a]C)(OC)(O)	118.6457	2.917	4	118.6457	8.506	4	118.6457	8.506	4	119.1086	6.321	17	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a,6a]N[6a])(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a,6a]N[6a])(COO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NCC){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C(NC[6a]C)(OC)(O)	117.2270	1.608	4	117.2270	2.585	4	117.2270	2.585	4	119.1086	6.321	17	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<4>,1|N<3>,1|O<1>}	C(NC[6a]C)(OC)(O)	119.0490	1.508	2	119.0490	2.273	2	119.6555	1.754	4	119.1086	6.321	17	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]N[6a])(COO)2	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>}	C(NC[6a]C)(OC)(O)	120.2620	1.232	2	120.2620	1.517	2	119.6555	1.754	4	119.1086	6.321	17	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(OC)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]2)(OC)(O)	120.5468	3.002	5	120.5468	9.012	5	120.5468	9.012	5	119.1086	6.321	17	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:S-2:S-2:	N(C[6a]C[6a]N[6a])2(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(SPt)2	N(C[6a]C[6a]N[6a])2(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SPt)2	121.9450	0.659	8	121.9450	0.434	8	121.9450	0.434	8	121.9450	0.434	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(NC[6a])(CF3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]2)(NC[6a])(CF3)	120.0650	0.000	1	120.0650	0.000	1	120.4825	0.349	2	120.4825	0.349	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:2:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C(NC[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]2)(NC[6a])(CH3)	120.9000	0.000	1	120.9000	0.000	1	120.4825	0.349	2	120.4825	0.349	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	118.3490	1.537	2	118.0750	1.355	4	118.0750	1.355	4	119.5248	11.526	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.8010	1.184	2	118.0750	1.355	4	118.0750	1.355	4	119.5248	11.526	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	125.3240	0.000	1	125.3240	0.000	1	125.3240	0.000	1	119.5248	11.526	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	116.9882	1.976	4	116.9622	4.269	6	116.9622	4.269	6	116.9622	4.269	6	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:2:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)2	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NCC){1|H<1>,2|C<3>}	C(NC[6a]C)(CH3)(O)	116.9100	3.103	2	116.9622	4.269	6	116.9622	4.269	6	116.9622	4.269	6	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	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(NC[6a]C[5])(H)(O)	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(NC[6a]C[5])(H)(O)	117.8360	0.000	1	117.8360	0.000	1	117.8360	0.000	1	119.5567	6.441	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	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(NC[5a]C[6a])(H)(O)	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(NC[5a]C[6a])(H)(O)	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	119.5567	6.441	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	C[6a](C[6a]C[6a]C)2(NB[5]C)	C(NC[6a]B[5])(H)(O)	N(C[6a]C[6a]2)(B[5]O[5]2)(CHO)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C(NC[6a]B[5])(H)(O)	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	119.5567	6.441	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:O-1:	N(C[6a]C[6a]2)2(CClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(Cl)(O)	N(C[6a]C[6a]2)2(CClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(Cl)(O)	121.4660	4.190	2	121.4660	17.559	2	121.4660	17.559	2	119.5567	6.441	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(H)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CHO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(H)(O)	118.4260	0.160	2	118.4260	0.026	2	118.4260	0.026	2	119.5567	6.441	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	C[6a](C[6a]C[6a]H)2(NCN)	C(NC[6a]N)(H)(O)	N(C[6a]C[6a]2)(NC[6a]H)(CHO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(H)(O)	122.6390	0.000	1	122.6390	0.000	1	122.6390	0.000	1	119.5567	6.441	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	B[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NB[5a]C)	C(NB[5a]C[6a])(NC[6a])(O)	N(B[5a]N[5a]2)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NB[5a]C){1|C<3>,2|H<1>}	C(NB[5a]C[6a])(NC[6a])(O)	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	B[6,6]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NB[6,6]C)	C(NB[6,6]C[6a])(NC[6a])(H)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	C[6a](C[6a]C[6a]C)2(NB[6,6]C){1|C<3>,2|H<1>}	C(NB[6,6]C[6a])(NC[6a])(H)	114.4420	0.000	1	114.4420	0.000	1	114.4420	0.000	1	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	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(NC[6a]C[5])(NC[6a])(H)	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(NC[6a]C[5])(NC[6a])(H)	116.9495	3.993	2	116.9495	15.944	2	116.9495	15.944	2	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a])(O)	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(O)	119.4020	0.000	1	119.4020	0.000	1	119.4020	0.000	1	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	119.5980	0.000	1	119.5980	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	121.6610	0.000	1	121.6610	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	121.9510	0.000	1	121.9510	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	116.7135	1.535	2	116.7135	2.357	2	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|F<1>,1|H<1>}	C(NC[6a]C)(OC)(O)	121.4780	0.000	1	121.4780	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	118.2120	0.000	1	118.2120	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	117.6920	0.000	1	117.6920	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	119.1750	0.000	1	119.1750	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	117.1030	0.000	1	117.1030	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CN[6]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CN[6]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	120.2400	0.000	1	120.2400	0.000	1	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]C)(OC)(O)	114.8540	0.363	2	114.8540	0.132	2	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>,3|C<4>}	C(NC[6a]C)(OC)(O)	115.5200	0.649	2	115.5200	0.421	2	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C(NC[6a]C)(OC)(O)	119.8670	0.432	4	119.8670	0.187	4	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]O)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(COO)2	C[6a](C[6a]C[6a]O)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	117.2180	0.552	2	117.2180	0.304	2	118.3423	5.145	21	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(S)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(S)	118.3260	0.000	1	118.3260	0.000	1	118.3260	0.000	1	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCN){1|N<2>,2|C<3>,2|H<1>}	C(NC[6a]N)(OC)(O)	123.7830	0.000	1	123.7830	0.000	1	123.2990	0.176	3	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]C)(NCN){1|B<3>,1|H<1>,2|C<3>}	C(NC[6a]N)(OC)(O)	123.0570	0.000	2	123.0570	0.000	2	123.2990	0.176	3	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCN){1|C<4>,1|H<1>,3|C<3>}	C(NC[6a]N)(OC)(O)	124.3430	0.000	1	124.3430	0.000	1	124.5610	0.397	3	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCN){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]N)(OC)(O)	125.2710	0.000	1	125.2710	0.000	1	124.5610	0.397	3	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(COO)(NCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(OC)(O)	124.0690	0.000	1	124.0690	0.000	1	124.5610	0.397	3	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:N-3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C(NC[6a]N)(OC)(O)	125.0440	0.250	2	125.0440	0.063	2	125.0440	0.063	2	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C(NC[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a])(H)	119.1910	0.000	1	119.1910	0.000	1	119.8695	0.921	2	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]F)2(NC[6a]C)	C(NC[6a]2)(NC[6a])(H)	N(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]F)2(NC[6a]C){1|C<3>,2|F<1>}	C(NC[6a]2)(NC[6a])(H)	120.5480	0.000	1	120.5480	0.000	1	119.8695	0.921	2	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(NH)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NH)(O)	121.6235	1.671	2	121.6235	2.792	2	121.3848	3.756	10	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NC)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC)(O)	121.3251	2.100	8	121.3251	4.410	8	121.3848	3.756	10	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(OC)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(OC)(O)	118.4690	2.931	3	118.4690	8.593	3	120.6465	8.368	8	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(OC)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]2)(OC)(O)	122.4675	2.108	4	121.9530	4.657	5	120.6465	8.368	8	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(OC)(O)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(OC)(O)	119.8950	0.000	1	121.9530	4.657	5	120.6465	8.368	8	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(OC[6a])(S)	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(OC[6a])(S)	121.3385	1.205	8	121.3385	1.453	8	121.3385	1.453	8	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:O-1:	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(SH)(O)	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SH)(O)	121.6385	4.909	2	121.6385	24.103	2	121.0982	7.494	6	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:O-1:	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(SC[6a])(O)	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SC[6a])(O)	120.8280	2.041	4	120.8280	4.165	4	121.0982	7.494	6	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:Ge-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:H-1:	N(C[6a]C[6a]2)(GeCW)(CHS)	C[6a](C[6a]C[6a]H)2(NGeC)	C(NC[6a]Ge)(SW)(H)	N(C[6a]C[6a]2)(GeCW)(CHS)	C[6a](C[6a]C[6a]H)2(NGeC){1|C<3>,2|H<1>}	C(NC[6a]Ge)(SW)(H)	115.6880	0.000	1	115.6880	0.000	1	115.6880	0.000	1	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCN)	C(NC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]N)(OC)(O)	125.4853	1.772	11	125.4853	3.141	11	125.4853	3.141	11	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:P[4]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	C[6a](C[6a]C[6a]H)2(NP[4]C)	C(NC[6a]P[4])(NC[6a])(H)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	C[6a](C[6a]C[6a]H)2(NP[4]C){1|C<3>,2|H<1>}	C(NC[6a]P[4])(NC[6a])(H)	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NN[5]C)	C(NC[6a]N[5])(OC)(O)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C(NC[6a]N[5])(OC)(O)	124.5990	1.024	2	124.5990	1.048	2	124.5990	1.048	2	120.9642	11.143	84	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-2:	N(C[6a]C[6a]2)(CCO)(CNS)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(NC[6a])(SC[6a])	N(C[6a]C[6a]2)(CCO)(CNS)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(SC[6a])	118.1640	0.000	1	118.1640	0.000	1	120.5730	11.607	2	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:S-2:	N(C[6a]C[6a]2)(CNiS)(CNS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a])(SNi)	N(C[6a]C[6a]2)(CNiS)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(SNi)	122.9820	0.000	1	122.9820	0.000	1	120.5730	11.607	2	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-2:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NC[6a])(OH)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a])(OH)	120.8625	4.017	2	120.8625	16.137	2	120.8625	16.137	2	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(SCo)(NC)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SCo)(NC)	121.8018	1.214	12	121.8018	1.474	12	121.8637	1.619	32	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(SNi)(NC)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SNi)(NC)	121.8716	1.666	8	121.8716	2.776	8	121.8637	1.619	32	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(SRe)(NC)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SRe)(NC)	122.0490	0.644	4	122.0490	0.415	4	121.8637	1.619	32	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(SRh)(NC)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SRh)(NC)	121.9475	1.026	2	121.9475	1.053	2	121.8637	1.619	32	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(STc)(NC)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(STc)(NC)	121.4548	1.792	4	121.4548	3.213	4	121.8637	1.619	32	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(SZn)(NC)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(SZn)(NC)	122.5665	0.863	2	122.5665	0.745	2	121.8637	1.619	32	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:P-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-2:	N(C[6a]C[6a]2)(PC[6a]2)(COO)	C[6a](C[6a]C[6a]C)2(NCP)	C(NC[6a]P)(OAl)2	N(C[6a]C[6a]2)(PC[6a]2)(COO)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C(NC[6a]P)(OAl)2	120.2560	0.000	1	120.2560	0.000	1	120.2560	0.000	1	121.6963	2.356	37	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(NC[6a])(CH3)	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(CH3)	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	120.1847	1.878	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C(NC[6a]2)(NC[6a])(CF3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a])(CF3)	120.7690	0.000	1	120.7690	0.000	1	119.6940	2.311	2	120.1847	1.878	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:C-4:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C(NC[6a]2)(NC[6a])(CH3)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a])(CH3)	118.6190	0.000	1	118.6190	0.000	1	119.6940	2.311	2	120.1847	1.878	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:As-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(AsAsN)(CCH)	C[6a](C[6a]C[6a]C)2(NAsC)	C(NC[6a]As)(CC[6a]C)(H)	N(C[6a]C[6a]2)(AsAsN)(CCH)	C[6a](C[6a]C[6a]C)2(NAsC){1|C<3>,2|H<1>}	C(NC[6a]As)(CC[6a]C)(H)	124.2415	0.112	2	124.2415	0.013	2	124.2415	0.013	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	C[6a](C[6a]C[6a]C)2(NBC)	C(CC[6a]N)(NC[6a]B)(H)	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>}	C(CC[6a]N)(NC[6a]B)(H)	116.1300	0.000	1	116.1300	0.000	1	116.1300	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:S-1:	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	C[6a](C[6a]C[6a]H)2(NBC)	C(CC[6a]C)(NC[6a]B)(S)	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>}	C(CC[6a]C)(NC[6a]B)(S)	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:H-1:	N(C[6a]C[6a]2)(BC[6a]2)(CC[5a]H)	C[6a](C[6a]C[6a]C)2(NBC)	C(C[5a]C[5a,6a]N[5a])(NC[6a]B)(H)	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>}	C(C[5a]C[5a,6a]N[5a])(NC[6a]B)(H)	116.2440	0.000	1	116.2440	0.000	1	116.2440	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NB[5]C)	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]H)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]B[5])(H)	119.9250	0.000	1	119.9250	0.000	1	119.9250	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[5,6a]-3:C[6,6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[5,6a]C[6,6a])(CNO)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6,6a])(CNO)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC){1|N<2>,4|C<4>,4|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	116.9135	3.886	2	116.9135	15.098	2	116.9135	15.098	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C(C[6]C[6]2)(NC[6a]C)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6]2)(NC[6a]C)(O)	116.3240	0.000	1	116.3240	0.000	1	116.3240	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.5470	0.000	1	117.5470	0.000	1	117.6745	0.033	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CC[6]O)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.8020	0.000	1	117.8020	0.000	1	117.6745	0.033	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>,3|H<1>}	C(NC[6a]C)(CCC)(O)	118.3360	0.000	1	118.3360	0.000	1	118.3360	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]Ge)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]Ge)(NC[6a]C)(H)	119.1360	0.000	1	119.1360	0.000	1	119.7885	0.696	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]H)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCH)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]C)(H)	120.4060	0.750	2	120.4060	0.562	2	119.7885	0.696	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]H)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]C)(H)	119.2060	0.000	1	119.2060	0.000	1	119.7885	0.696	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(CC[6a]C)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]C)(O)	116.4885	0.103	2	116.4885	0.011	2	116.3040	0.107	3	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(CC[6a]O)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	115.9350	0.000	1	115.9350	0.000	1	116.3040	0.107	3	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.4715	6.281	2	121.4715	39.454	2	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.7935	3.106	2	117.7935	9.649	2	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	116.2720	0.000	1	116.2720	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	118.3460	0.000	1	118.3460	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	116.4110	0.000	1	116.4110	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CIrN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	111.0420	0.233	2	111.0420	0.054	2	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.5340	0.000	1	117.5340	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	121.0970	0.000	1	121.0970	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	119.2550	0.000	1	119.2550	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.2130	0.000	1	117.2130	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	116.3840	0.000	1	116.3840	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CRhN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	112.3540	0.000	1	112.3540	0.000	1	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	116.1075	0.607	4	116.1075	0.369	4	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]F)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]F)2(NCC){1|C<3>,2|F<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.5102	3.012	8	117.5102	9.071	8	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	118.0567	2.243	6	117.6741	5.217	7	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)2	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	115.3790	0.000	1	117.6741	5.217	7	117.1680	9.444	34	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(S)	127.1900	0.000	1	127.1900	0.000	1	121.4939	13.198	7	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(S)	125.6700	0.000	1	125.6700	0.000	1	121.4939	13.198	7	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]O)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(S)	120.5240	0.000	1	120.5240	0.000	1	121.4939	13.198	7	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(S)	117.4980	0.000	1	117.4980	0.000	1	121.4939	13.198	7	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(S)	119.8583	1.478	3	119.8583	2.185	3	121.4939	13.198	7	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCH)(H)	N(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(H)	118.1370	0.000	1	118.1370	0.000	1	120.7280	13.427	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CC[5]C)(H)	N(C[6a]C[6a]2)(CCH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CC[5]C)(H)	123.3190	0.000	1	123.3190	0.000	1	120.7280	13.427	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CNO)(O)	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CNO)(O)	120.6645	0.326	2	120.6645	0.106	2	118.0987	4.520	6	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	116.3417	0.155	3	116.3417	0.024	3	118.0987	4.520	6	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	118.2380	0.000	1	118.2380	0.000	1	118.0987	4.520	6	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CCN)(CHN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]Pd)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCN)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]C)(H)	115.1700	0.820	6	115.1700	0.672	6	115.1700	0.672	6	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a]C)(O)	115.3670	0.000	1	115.3670	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	113.4340	0.688	3	113.4340	0.473	3	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCC)(O)	117.5750	0.000	1	117.5750	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	115.9000	0.000	1	115.9000	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6]H)(O)	115.0800	0.000	1	115.0800	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	112.9710	0.000	1	112.9710	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	115.8730	0.000	1	115.8730	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(COO)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	117.6680	0.000	1	117.6680	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCC)(O)	118.4720	0.000	1	118.4720	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	117.0598	3.186	6	117.0598	10.150	6	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CPdO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]Pd)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CPdO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]C)(O)	118.4730	0.000	1	118.4730	0.000	1	116.1133	6.229	18	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(N[6]C[6]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(NC[6a]C)(S)	121.3880	0.000	1	122.0097	7.677	4	122.0097	7.677	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(N[6]C[6]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]C)(S)	122.2170	3.355	3	122.0097	7.677	4	122.0097	7.677	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-1:	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	C[6a](C[6a]C[6a]H)2(NCN)	C(C[6a]C[6a]2)(NC[6a]N)(N)	N(C[6a]C[6a]2)(CC[6a]N)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]N)(N)	126.7190	0.000	1	126.7190	0.000	1	126.7190	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C[6a](C[6a]C[6a]H)2(NCN)	C(C[6a]C[6a]2)(NC[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]O)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(NC[6a]N)(O)	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)(NCH)	C[6a](C[6a]C[6a]H)2(NCN)	C(NC[6a]N)(CCC)(O)	N(C[6a]C[6a]2)(CCO)(NCH)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(CCC)(O)	125.0530	0.000	1	125.0530	0.000	1	125.0530	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	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(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	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(C[6a]C[6a,6a]C[6a])(NC[6a]C[6])(O)	120.6200	0.000	1	120.6200	0.000	1	120.6200	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	117.1770	0.000	1	117.1770	0.000	1	117.1770	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	115.5185	1.305	2	115.5185	1.702	2	116.4517	3.463	3	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	118.3180	0.000	1	118.3180	0.000	1	116.4517	3.463	3	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CC[6a]O)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]2)(O)	120.6710	0.110	2	120.6710	0.012	2	120.6710	0.012	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	129.6720	1.215	2	129.6720	1.476	2	122.0143	78.715	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	114.5860	0.000	1	114.5860	0.000	1	122.0143	78.715	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[5a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C(C[5a]C[5a,6a]C[5a])(NC[6a]2)(O)	114.1270	0.000	1	114.1270	0.000	1	122.0143	78.715	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	124.3370	0.000	1	124.3370	0.000	1	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	126.8255	1.156	2	126.8255	1.337	2	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	124.2610	0.000	1	122.8520	3.971	2	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	121.4430	0.000	1	122.8520	3.971	2	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	125.6310	0.000	1	125.6310	0.000	1	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]2)(O)	121.0159	2.185	10	121.0159	4.776	10	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	120.3236	2.309	13	120.3236	5.333	13	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]2)(O)	121.1900	1.887	2	121.1900	3.559	2	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	118.4790	0.000	1	118.4790	0.000	1	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]S)(C[6a]N[6a]H)(NC[6a]C){1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(NC[6a]2)(O)	125.4960	0.000	1	125.4960	0.000	1	121.5165	7.717	33	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CCC)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CCC)(O)	121.2160	2.079	2	121.2160	4.322	2	121.4412	8.307	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CCF)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CCF)(O)	121.6665	4.516	2	121.6665	20.397	2	121.4412	8.307	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]Cl)2(NC[6a]C)	C(NC[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]Cl)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a]C)(O)	115.4270	0.000	1	115.4270	0.000	1	120.7312	3.405	120	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NCC)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NCC)(O)	120.3380	0.000	1	120.3380	0.000	1	120.7312	3.405	120	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(NHH)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NHH)(O)	120.7811	1.727	112	120.7811	2.983	112	120.7312	3.405	120	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NCC)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NCC)(O)	120.9310	3.670	2	120.9310	13.468	2	120.7312	3.405	120	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NCH)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NCH)(O)	120.3615	4.491	2	120.3615	20.168	2	120.7312	3.405	120	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|C<4>}	C(NC[6a]2)(NC[6a]H)(O)	123.3420	0.000	1	120.9510	11.434	2	120.7312	3.405	120	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NC[6a]H)(O)	118.5600	0.000	1	120.9510	11.434	2	120.7312	3.405	120	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(NCH)(S)	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NCH)(S)	121.7997	1.708	16	121.7997	2.916	16	121.7997	2.916	16	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:O-1:	N(C[6a]C[6a]2)2(CN[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(N[5]C[5]2)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CN[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(N[5]C[5]2)(NC[6a]2)(O)	120.6655	2.799	4	120.6655	7.835	4	120.6655	7.835	4	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[5]C)	C(NC[6a]N[5])(CCC)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C(NC[6a]N[5])(CCC)(O)	126.2700	1.097	2	126.2700	1.204	2	126.2700	1.204	2	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[6a]C)	C(NC[6a]N[6a])(CCC)(O)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[6a]C){1|C<3>,2|H<1>}	C(NC[6a]N[6a])(CCC)(O)	128.4980	0.000	1	128.4980	0.000	1	128.4980	0.000	1	119.9706	10.177	291	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	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(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	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(C[6a]C[6a]2)(NC[5a]C[6a])(NC[6a])	122.7850	0.000	1	122.7850	0.000	1	122.7850	0.000	1	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:P-3:N-2:	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	C[6a](C[6a]C[6a]H)2(NB[5]C)	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	N(C[6a]C[6a]2)(B[5]O[5]2)(CNP)	C[6a](C[6a]C[6a]H)2(NB[5]C){1|C<3>,2|H<1>}	C(NC[6a]B[5])(PC[6a]2)(NC[6a])	116.0960	0.000	1	116.0960	0.000	1	116.0960	0.000	1	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]P)(NC[6a]C)(NS)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]P)(NC[6a]C)(NS)	115.4820	0.000	1	115.4820	0.000	1	115.4820	0.000	1	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	119.7410	0.000	1	119.7410	0.000	1	116.1842	13.723	5	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(NC)	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(NC)	119.2440	0.000	1	119.2440	0.000	1	116.1842	13.723	5	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	116.6350	0.000	1	116.6350	0.000	1	116.1842	13.723	5	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	110.6880	0.000	1	110.6880	0.000	1	116.1842	13.723	5	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(CC[6a]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(NC[6a])	114.6130	0.000	1	114.6130	0.000	1	116.1842	13.723	5	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-2:	N(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHH)(CC)	N(C[6a]C[6a]2)(CCC)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHH)(CC)	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a]H)(NS)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(NS)	116.8620	0.000	1	116.8620	0.000	1	119.2113	3.572	4	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]Al)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Al)(NC[6a]C)(NC[6a])	120.1350	0.000	1	120.1350	0.000	1	119.2113	3.572	4	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(NC)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(NC)	119.9240	1.824	2	119.9240	3.328	2	119.2113	3.572	4	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	117.5540	0.000	1	118.4930	4.177	4	118.4930	4.177	4	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:N-2:	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	N(C[6a]C[6a]2)(CN[6]N)(CN[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]C)(NC[6a])	118.8060	2.383	3	118.4930	4.177	4	118.4930	4.177	4	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(NC)	N(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(NC)	120.0288	1.597	6	120.0288	2.551	6	120.0288	2.551	6	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-2:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(NHH)(OH)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NHH)(OH)	121.1636	0.741	22	121.1636	0.549	22	121.1636	0.549	22	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	C[6a](C[6a]C[6a]H)2(NCN)	C(NC[6a]N)(NCH)(NC)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(NCH)(NC)	125.4290	0.000	1	125.4290	0.000	1	125.4290	0.000	1	119.8592	6.730	46	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	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[6a]-3:N-3:C-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(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	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(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:B-3:N-3:	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	C[6a](C[6a]C[6a]C)2(NB[5]C)	C(C[6a]C[6a]2)(BC[6a]N[6])(NC[6a]B[5])	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(BC[6a]N[6])(NC[6a]B[5])	117.1027	0.538	3	117.1027	0.289	3	117.1027	0.289	3	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:B-3:	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	C[6a](C[6a]C[6a]C)2(NB[5]C)	C(C[6a]C[6a]2)(NC[6a]B[5])(BC[6a]C)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]B)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]B[5])(BC[6a]C)	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:B[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NB[5]C)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	C[6a](C[6a]C[6a]C)2(NB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	118.3480	0.000	1	118.3480	0.000	1	118.3480	0.000	1	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:B[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C[6]-3:	N(C[6a]C[6a]2)(CC[6a]C[6])(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NB[5]C)	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	N(C[6a]C[6a]2)(CC[6a]C[6])(B[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NB[5]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]B[5])(C[6]C[6]2)	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[5a]C[5a]2)(NC[6a]C)(CHH)	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]C)(CHH)	114.2040	0.000	1	114.2040	0.000	1	115.7145	4.563	2	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|F<1>,1|H<1>}	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	117.2250	0.000	1	117.2250	0.000	1	115.7145	4.563	2	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[6]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	114.5570	0.000	1	114.5570	0.000	1	114.5570	0.000	1	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	118.8560	0.000	1	118.8560	0.000	1	118.4382	1.394	5	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	N(C[6a]C[6a]2)(CC[6a]C)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	118.3338	1.336	4	118.3338	1.786	4	118.4382	1.394	5	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(CFeO)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(NFeC)	N(C[6a]C[6a]2)(CC[6a]N)(CFeO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(NFeC)	122.0800	0.000	1	122.0800	0.000	1	122.9160	1.398	2	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]N)(CPdN)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(NPdH)	N(C[6a]C[6a]2)(CC[6a]N)(CPdN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(NPdH)	123.7520	0.000	1	123.7520	0.000	1	122.9160	1.398	2	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCH)(COO)	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(COO)	118.1180	0.000	1	118.1180	0.000	1	117.9285	0.072	2	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCO)(COP)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCO)(COP)	117.7390	0.000	1	117.7390	0.000	1	117.9285	0.072	2	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-3:	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]Al)(NC[6a]C)(CHH)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Al)(NC[6a]C)(CHH)	112.7200	0.000	1	112.7200	0.000	1	112.7200	0.000	1	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]Al)(NC[6a]C)(NCC)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Al)(NC[6a]C)(NCC)	116.0730	0.000	1	116.0730	0.000	1	118.4648	3.535	18	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NPtH)(NCC)	117.6035	2.292	4	117.6035	5.254	4	118.4648	3.535	18	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]C)(NHH)	119.0380	1.814	2	119.0380	3.292	2	118.4648	3.535	18	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]C)(NHH)	118.8912	1.723	11	118.8912	2.969	11	118.4648	3.535	18	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:C-3:	N(C[6a]C[6a]2)(CN[6]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(N[6]C[6]2)(NC[6a]C)(CII)	N(C[6a]C[6a]2)(CN[6]C)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]C)(CII)	116.0510	0.000	1	116.0510	0.000	1	116.0510	0.000	1	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:N-3:	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]C)(NPtH)	116.0116	0.582	11	116.0116	0.339	11	116.0116	0.339	11	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	N(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	119.7960	2.483	2	119.7960	6.167	2	119.7960	6.167	2	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	N(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	118.8453	1.074	6	118.8453	1.154	6	118.8453	1.154	6	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:N-3:	N(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CCO)(NCC)	N(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CCO)(NCC)	120.6052	0.437	4	120.6052	0.191	4	120.6052	0.191	4	118.0370	4.700	62	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]H)(NC[6a]C)(CHHN)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]C)(CHHN)	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	118.5680	1.668	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(CCN)(CHN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(NPdH)(CH3)	N(C[6a]C[6a]2)(CCN)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NPdH)(CH3)	119.1957	1.314	3	119.1957	1.726	3	118.7125	2.084	4	118.5680	1.668	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]Al)(NC[6a]C)(CH3)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Al)(NC[6a]C)(CH3)	117.2630	0.000	1	117.2630	0.000	1	118.7125	2.084	4	118.5680	1.668	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	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(NC[6a]C[5])(CH3)(O)	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(NC[6a]C[5])(CH3)(O)	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	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(NC[5a]C[6a])(CH3)(O)	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(NC[5a]C[6a])(CH3)(O)	118.4360	0.000	1	118.4360	0.000	1	120.8523	4.605	3	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	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(NC[5a]C[6a])(CH3)(O)	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(NC[5a]C[6a])(CH3)(O)	122.5360	0.000	1	122.5360	0.000	1	120.8523	4.605	3	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	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(NC[5a]C[6a])(CH3)(O)	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(NC[5a]C[6a])(CH3)(O)	121.5850	0.000	1	121.5850	0.000	1	120.8523	4.605	3	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	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:O-1:	N(C[6a]C[6a]2)(BCH)(CCO)	C[6a](C[6a]C[6a]C)2(NBC)	C(NC[6a]B)(CC3)(O)	N(C[6a]C[6a]2)(BCH)(CCO)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C(NC[6a]B)(CC3)(O)	115.0880	0.303	2	115.0880	0.092	2	113.9093	4.214	3	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	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:O-1:	N(C[6a]C[6a]2)(BC[6]C)(CCO)	C[6a](C[6a]C[6a]C)2(NBC)	C(NC[6a]B)(CC3)(O)	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>}	C(NC[6a]B)(CC3)(O)	111.5520	0.000	1	111.5520	0.000	1	113.9093	4.214	3	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)(CH3)(O)	116.9230	3.021	2	116.9230	9.125	2	116.8310	4.588	3	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)(CH3)(O)	116.6470	0.000	1	116.6470	0.000	1	116.8310	4.588	3	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	121.3650	0.000	1	121.3650	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	121.6460	0.000	1	121.6460	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	118.7350	0.000	1	118.7350	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	120.5160	0.494	3	120.5160	0.244	3	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(CNS)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CC3)(O)	N(C[6a]C[6a]2)(CCO)(CNS)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CC3)(O)	113.2240	0.000	1	113.2240	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(O)	121.4330	0.000	1	121.4330	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHN)(O)	N(C[6a]C[6a]2)(CCO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHN)(O)	120.2000	0.000	1	120.2000	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]C)(NCC){3|C<3>}	C(NC[6a]C)(CH3)(O)	117.0725	3.601	2	117.0725	12.969	2	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	117.0925	3.726	2	117.0925	13.881	2	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	117.2560	2.892	2	117.2560	8.364	2	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	116.9750	2.773	2	116.9750	7.691	2	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(CH3)(O)	117.3055	2.285	2	117.3055	5.220	2	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|N<3>}	C(NC[6a]C)(CH3)(O)	117.7970	1.568	2	117.7970	2.460	2	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHS)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHS)(O)	115.4760	0.000	1	115.4760	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	119.9180	0.000	1	119.9180	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	118.1010	0.000	1	118.1010	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	119.2150	0.000	1	119.2150	0.000	1	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	117.3443	1.345	3	117.3443	1.808	3	118.2104	5.833	28	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[5a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	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(NC[5a]C[6a])(CCHH)(O)	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(NC[5a]C[6a])(CCHH)(O)	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C(NC[6a]C[6])(CH3)(O)	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(NC[6a]C[6])(CH3)(O)	124.8380	0.472	2	124.8380	0.223	2	124.8380	0.223	2	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(CCHH)(O)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,3|C<3>}	C(NC[6a]2)(CCHH)(O)	122.7400	0.000	1	122.7400	0.000	1	122.7400	0.000	1	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(CCHH)(O)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	C(NC[6a]2)(CCHH)(O)	121.3370	0.000	1	121.3370	0.000	1	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(CCHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]2)(CCHH)(O)	120.9855	0.074	2	120.0884	1.238	7	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(CCHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CCHH)(O)	119.7296	1.137	5	120.0884	1.238	7	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(CH3)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]2)(CH3)(O)	121.9490	0.000	1	121.7431	4.450	7	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(CH3)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CH3)(O)	122.0764	2.377	5	121.7431	4.450	7	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(CH3)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]2)(CH3)(O)	119.8710	0.000	1	121.7431	4.450	7	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C(NC[6a]2)(CH3)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]2)(CH3)(O)	121.7455	0.515	2	121.7455	0.266	2	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C(NC[6a]2)(CCHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CCHH)(O)	120.0170	0.645	2	120.0170	0.416	2	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CBrHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CBrHH)(O)	121.9105	1.006	2	121.9105	1.012	2	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CC3)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CC3)(O)	123.5985	8.156	2	123.5985	66.528	2	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CCHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]2)(CCHH)(O)	119.9130	0.000	1	122.2030	1.604	7	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CCHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CCHH)(O)	122.5847	0.837	6	122.2030	1.604	7	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CClHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CClHH)(O)	121.5790	1.819	2	121.5790	3.308	2	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CH3)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CH3)(O)	121.6969	2.327	23	121.6969	5.415	23	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CHHO)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CHHO)(O)	121.2340	2.800	8	121.2340	7.842	8	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CHHS)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CHHS)(O)	121.6832	1.558	6	121.6832	2.426	6	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CSeHH)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CSeHH)(O)	121.7032	1.376	4	121.7032	1.893	4	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CH3)(O)	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CH3)(O)	118.9080	0.000	1	118.9080	0.000	1	121.5135	4.756	74	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[5]C)	C(NC[6a]N[5])(CCCH)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	C(NC[6a]N[5])(CCCH)(O)	128.0720	0.000	1	128.0720	0.000	1	125.0370	18.422	2	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[5]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C)	C(NC[6a]N[5])(CH3)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C){4|C<3>}	C(NC[6a]N[5])(CH3)(O)	122.0020	0.000	1	122.0020	0.000	1	125.0370	18.422	2	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[6a]C)	C(NC[6a]N[6a])(CCCH)(O)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NN[6a]C){1|C<3>,2|H<1>}	C(NC[6a]N[6a])(CCCH)(O)	128.1375	0.129	2	128.1375	0.017	2	128.1375	0.017	2	120.6525	9.623	120	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-2:	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(NRh)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(NRh)	116.6185	2.254	2	116.6185	5.078	2	116.6185	5.078	2	119.8005	9.981	6	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:2:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(NC[6a]2)(CHHP)(OMo)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(CHHP)(OMo)	121.3915	2.195	4	121.3915	4.818	4	121.3915	4.818	4	119.8005	9.981	6	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(BClFe)(CCC)	C[6a](C[6a]C[6a]C)2(NBC)	C(NC[6a]B)(CH3)(CCH)	N(C[6a]C[6a]2)(BClFe)(CCC)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C(NC[6a]B)(CH3)(CCH)	112.7380	0.000	2	112.7380	0.000	2	115.3583	20.598	3	117.8550	12.111	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:B-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(BClN)(CCC)	C[6a](C[6a]C[6a]C)2(NBC)	C(NC[6a]B)(CC3)(CCH)	N(C[6a]C[6a]2)(BClN)(CCC)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	C(NC[6a]B)(CC3)(CCH)	120.5990	0.000	1	120.5990	0.000	1	115.3583	20.598	3	117.8550	12.111	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(CHS)	N(C[6a]C[6a]2)(CCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(CHS)	117.3900	0.605	2	117.3900	0.366	2	117.3900	0.366	2	117.8550	12.111	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:N-3:	N(C[6a]C[6a]2)(CCN)(CHN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CCHH)(NPdH)	N(C[6a]C[6a]2)(CCN)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(NPdH)	120.6617	0.474	3	120.6617	0.224	3	120.6617	0.224	3	117.8550	12.111	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[3]C[6a]C[3]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(NC[6a]C)(O)	124.1450	0.000	1	124.1450	0.000	1	119.4753	18.732	4	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[3]C[6a]C[3]S[3])(NC[6a]C)(O)	119.9960	0.000	1	119.9960	0.000	1	119.4753	18.732	4	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)2	C[6a](C[6a]N[6a]Cl)2(NCC)	C(C[3]C[3]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[3]O)2	C[6a](C[6a]N[6a]Cl)2(NCC){1|C<3>}	C(C[3]C[3]2H)(NC[6a]C)(O)	116.8800	4.544	2	116.8800	20.647	2	119.4753	18.732	4	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[3]O)(CC[6]O)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6]C[6]O[6]H)(NC[6a]C)(O)	115.4040	0.000	1	115.4040	0.000	1	115.4040	0.000	1	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CC[3]CH)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CC[3]CH)(NC[6a]2)(O)	121.7375	3.291	4	121.7375	10.830	4	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CC[5a]HH)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CC[5a]HH)(NC[6a]2)(O)	118.9000	0.000	1	118.9000	0.000	1	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CC[6]CH)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CC[6]CH)(NC[6a]2)(O)	120.8945	1.746	4	120.8945	3.049	4	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CC[6]HO)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CC[6]HO)(NC[6a]2)(O)	122.3565	2.021	4	122.3565	4.085	4	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CC[6a]HH)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]2)(O)	121.8632	2.465	4	121.8632	6.076	4	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CC[6a]HO)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CC[6a]HO)(NC[6a]2)(O)	121.6635	0.103	2	121.6635	0.011	2	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(CN[5]HH)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]2)(O)	121.7850	1.420	2	121.7850	2.016	2	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C)	C(CC[5a]HH)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|H<1>,3|C<3>}	C(CC[5a]HH)(NC[6a]2)(O)	124.6940	0.000	1	124.6940	0.000	1	121.7226	4.542	22	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)2(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[5]C[5]2Fe)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]2)(O)	120.9805	1.300	2	120.9805	1.691	2	121.4495	5.785	12	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)2(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C(C[5]C[5]2H)(NC[6a]2)(O)	N(C[6a]C[6a]2)2(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(NC[6a]2)(O)	121.5433	2.612	10	121.5433	6.824	10	121.4495	5.785	12	121.2461	7.036	39	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	4:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:N-2:	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]HH)(NC[6a]C)(NS)	N(C[6a]C[6a]2)(CCN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]HH)(NC[6a]C)(NS)	125.6680	0.000	1	125.6680	0.000	1	125.6680	0.000	1	125.6680	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	2:2:3:	3:3:1:	C[6a]-3:C-3:C-4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	C[6a](N[6a]C[6a])2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]N[6a]2)(CC[6a]O)(CH3)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.9120	0.000	1	122.9120	0.000	1	122.9120	0.000	1	122.9120	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	123.1030	2.271	2	123.1030	5.158	2	122.9855	1.975	4	122.9855	1.975	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:2:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	N(C[6a]C[6a]N[6a])(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	122.8680	0.843	2	122.8680	0.710	2	122.9855	1.975	4	122.9855	1.975	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]C[5]2)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CC[5]H)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]C)(H)	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	123.1090	0.000	1	123.1090	0.000	1	123.8011	0.955	9	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5a]C[5a]N[5a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(NC[6a]C)(O)	123.9647	1.062	7	123.9647	1.128	7	123.8011	0.955	9	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]S[5a])(NC[6a]C)(O)	123.3480	0.000	1	123.3480	0.000	1	123.8011	0.955	9	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5a]C[5a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[5a]S)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(NC[6a]C)(S)	121.8900	0.000	1	121.8900	0.000	1	121.8900	0.000	1	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	120.8700	0.000	1	120.8700	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	120.4405	2.436	2	120.4405	5.934	2	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	123.5300	0.000	1	123.5300	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.3210	0.000	1	121.3210	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCCH)	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.0170	0.000	1	122.0170	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(NCC){1|H<1>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	125.5610	0.000	1	125.5610	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.6430	0.659	3	123.3685	5.653	19	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	123.1296	2.518	16	123.3685	5.653	19	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.3005	0.998	2	124.3005	0.995	2	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.8597	2.576	3	122.8597	6.633	3	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	122.9260	0.000	1	122.9260	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	125.5390	2.290	4	125.5390	5.243	4	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.0702	0.917	6	122.2299	1.659	46	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.9446	1.832	13	122.2299	1.659	46	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.0305	0.411	2	122.2299	1.659	46	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.0596	0.831	22	122.2299	1.659	46	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.5007	1.337	3	122.2299	1.659	46	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	122.7687	1.027	7	122.7687	1.055	7	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.6160	0.000	1	121.6160	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	123.2440	0.000	1	123.2440	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	125.3217	2.266	4	125.3217	5.133	4	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	119.0957	0.212	3	119.0957	0.045	3	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	123.9795	2.988	24	123.9795	8.926	24	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.1990	0.000	1	123.0385	2.694	2	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.8780	0.000	1	123.0385	2.694	2	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6a]C)(O)	124.3850	0.081	2	124.3850	0.006	2	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.5109	1.483	33	123.7892	3.576	45	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|N<3>,2|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.8043	1.431	12	123.7892	3.576	45	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]O[6a])(NC[6a]C)(O)	124.3340	0.000	1	124.3340	0.000	1	123.2037	4.714	172	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]S)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(S)	122.1220	1.044	3	122.1220	1.090	3	122.1220	1.090	3	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	C[6a](C[6a]C[6a]H)2(NCS)	C(C[6a]C[6a]2)(NC[6a]S)(O)	N(C[6a]C[6a]2)(CC[6a]O)(SCOO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]S)(O)	122.8770	0.000	1	122.8770	0.000	1	122.8770	0.000	1	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC)	C(C[5]C[5]2)(NC[6a]Si)(H)	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]Si)(H)	118.2460	0.000	1	118.2460	0.000	1	118.2460	0.000	1	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	C[6a](C[6a]C[6a]H)2(NSiC)	C(C[6]C[6]2)(NC[6a]Si)(H)	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]Si)(H)	112.7990	0.000	1	112.7990	0.000	1	112.7990	0.000	1	123.1204	5.089	189	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(C[6]C[6]N[6])(NC[6a]C)(OFe)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(C[6]C[6]N[6])(NC[6a]C)(OFe)	121.8465	2.995	2	121.8465	8.968	2	121.8465	8.968	2	120.0886	24.485	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-2:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(OPd)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6a]C)(OPd)	123.8015	2.321	2	123.8015	5.389	2	123.8015	5.389	2	120.0886	24.485	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-2:	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C[6a](C[6a]C[6a]H)2(NCP)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	N(C[6a]C[6a]2)(CC[6a]C)(PO3)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]P)(CC)	114.5640	0.000	3	114.5640	0.000	3	114.5640	0.000	3	120.0886	24.485	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:2:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	C[6a](C[6a]C[6a]C)2(NSiC)	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	125.7210	0.000	1	125.7210	0.000	1	125.7210	0.000	1	120.0886	24.485	8	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(NC[6a]C)	N(C[6a]C[6a]2)(CC[6a]C[5])(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5]N[5,6]N[5])(C[6a]C[6a]2)(NC[6a]C)	121.2390	0.000	1	121.2390	0.000	1	121.2390	0.000	1	119.8583	5.388	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[5]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	N(C[6a]C[6a]2)(CC[5]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	119.8583	5.388	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	117.6500	0.000	1	117.6500	0.000	1	120.4823	2.666	7	119.8583	5.388	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	120.9543	1.152	6	120.9543	1.327	6	120.4823	2.666	7	119.8583	5.388	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC)	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	C[6a](C[6a]C[6a]H)2(NSiC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	116.0215	0.330	2	116.0215	0.109	2	116.0215	0.109	2	119.8583	5.388	11	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	C(C[4]C[4]2H)(NC[6a]C)(O)	N(C[6a]C[6a,6a]C[6a])(CC[4]O)(CH3)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C(C[4]C[4]2H)(NC[6a]C)(O)	124.2520	0.000	1	124.2520	0.000	1	124.2520	0.000	1	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[3]C[3]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[3]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<4>}	C(C[3]C[3]2H)(NC[6a]C)(O)	122.6340	0.000	1	122.6340	0.000	1	122.6340	0.000	1	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[3x6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[3x6]C[6,6]3)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[3x6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C(C[3x6]C[6,6]3)(NC[6a]C)(O)	127.1435	1.522	2	127.1435	2.318	2	127.1435	2.318	2	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[4,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[4,6]C[4,6]C[4]O[6])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[4,6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[4,6]C[4,6]C[4]O[6])(NC[6a]C)(O)	118.2480	0.468	3	118.2480	0.219	3	118.2480	0.219	3	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5,5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[5,5]C[5,5]N[5]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5,5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[5,5]C[5,5]N[5]2)(NC[6a]C)(O)	124.5820	0.000	1	124.5820	0.000	1	124.5820	0.000	1	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[5]C[5]N[5]H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(NC[6a]C)(O)	124.3148	0.634	4	124.3148	0.402	4	124.7593	0.906	15	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[5]C[5]2C)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(NC[6a]C)(O)	126.7740	0.000	1	126.7740	0.000	1	124.7593	0.906	15	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]C[5]2Fe)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]C)(O)	123.7170	0.000	1	124.3660	0.920	3	124.7593	0.906	15	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]C[5]2Fe)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|N<2>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]C)(O)	124.6905	1.100	2	124.3660	0.920	3	124.7593	0.906	15	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]C[5]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(NC[6a]C)(O)	125.2845	0.706	4	125.2845	0.498	4	124.7593	0.906	15	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]S[5]2C)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5]S[5]2C)(NC[6a]C)(O)	124.8245	0.250	2	124.8245	0.062	2	124.7593	0.906	15	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC)	C(C[5]C[5,5]C[5]H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]O)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NCC){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(NC[6a]C)(O)	123.4720	0.000	1	123.4720	0.000	1	124.7593	0.906	15	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(C[6]C[6]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|Br<1>,1|C<3>,1|H<1>}	C(C[6]C[6]2H)(NC[6a]C)(O)	124.8925	0.989	2	124.8925	0.979	2	125.6418	6.183	4	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6]C[6,6]C[6]C)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6]C[6,6]C[6]C)(NC[6a]C)(O)	129.1590	0.000	1	129.1590	0.000	1	125.6418	6.183	4	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6]C[6]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6]O)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6]C[6]2H)(NC[6a]C)(O)	123.6230	0.000	1	123.6230	0.000	1	125.6418	6.183	4	124.2391	6.660	27	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	2:2:3:	3:2:1:	C[6a]-3:C-4:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NCC){1|C<3>,1|N<3>,1|O<2>}	C(NC[6a]C)(OC)(O)	124.6960	0.000	1	124.6960	0.000	1	125.8490	2.950	3	125.8490	2.950	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	2:2:3:	3:2:1:	C[6a]-3:C-4:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<2>,1|O<2>}	C(NC[6a]C)(OC)(O)	125.0280	0.000	1	126.4255	3.906	2	125.8490	2.950	3	125.8490	2.950	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	2:2:3:	3:2:1:	C[6a]-3:C-4:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]N[6a]2)(CH3)(COO)	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|N<3>,1|O<2>}	C(NC[6a]C)(OC)(O)	127.8230	0.000	1	126.4255	3.906	2	125.8490	2.950	3	125.8490	2.950	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	2:2:3:	3:3:1:	C[6a]-3:C-4:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:N-3:O-1:	N(C[6a]N[6a]2)(CH3)(CNO)	C[6a](N[6a]C[6a])2(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]N[6a]2)(CH3)(CNO)	C[6a](N[6a]C[6a])2(NCC){1|C<4>,1|N<2>,1|O<2>}	C(NC[6a]C)(NC[6a]H)(O)	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	128.0870	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	2:2:3:	3:4:3:	C[6a]-3:C-4:C-3:	N[6a]-2:N[6a]-2:N-3:	N-3:C-4:C-3:	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C[6a](N[6a]C[6a])2(NCC)	C(NC[6a]C)(CH3)(CHH)	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C[6a](N[6a]C[6a])2(NCC){1|Cl<1>,1|N<2>,1|O<2>}	C(NC[6a]C)(CH3)(CHH)	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:2:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(OC)(O)	122.8630	0.000	1	122.8630	0.000	1	122.8630	0.000	1	122.8630	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:2:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC)	C(NC[6a]C)2(H)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(H)	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:2:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	123.2450	0.000	1	123.2450	0.000	1	123.2450	0.000	1	122.3960	1.442	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:2:3:	3:4:1:	C[6a]-3:S-4:C-3:	C[6a]-3:N[6a]-2:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS)	C(NC[6a]S)(CH3)(O)	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCS){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]S)(CH3)(O)	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	122.3960	1.442	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:H-1:	N(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(H)2	N(C[6a]C[6a]2)(CCHH)(CHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]C)(H)2	121.2230	0.000	1	121.2230	0.000	1	121.2092	0.337	5	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:H-1:	N(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(H)2	N(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]C)(H)2	120.9220	0.000	1	120.9220	0.000	1	121.2092	0.337	5	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:H-1:	N(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(H)2	N(C[6a]C[6a]2)(CH3)(CHH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(H)2	121.3003	0.787	3	121.3003	0.620	3	121.2092	0.337	5	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(H)(O)	118.6150	0.000	1	118.6150	0.000	1	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CCCH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(H)(O)	119.9230	0.000	1	119.9230	0.000	1	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(H)(O)	120.6313	0.621	3	120.6313	0.386	3	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(H)(O)	120.5630	1.818	3	120.5630	3.304	3	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CCHH)(CHO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(H)(O)	120.3830	0.000	1	120.3830	0.000	1	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CHO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C(NC[6a]C)(H)(O)	119.0770	0.000	1	119.0770	0.000	1	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CHO)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|H<1>,2|C<3>}	C(NC[6a]C)(H)(O)	120.2770	0.000	1	120.2770	0.000	1	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){1|H<1>,4|C<3>}	C(NC[6a]C)(H)(O)	119.8200	0.000	1	119.8200	0.000	1	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:1:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:H-1:O-1:	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(H)(O)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(H)(O)	121.3255	0.869	2	121.3255	0.755	2	120.3092	1.191	14	120.5461	1.101	19	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-2:O-1:	N(C[6a]C[6a]2)(CC3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CC)(O)	N(C[6a]C[6a]2)(CC3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CC)(O)	118.8040	0.000	1	118.8040	0.000	1	121.0565	10.148	2	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-2:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CN)(O)	123.3090	0.000	1	123.3090	0.000	1	121.0565	10.148	2	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NS)(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NS)(H)	119.3210	0.000	1	119.3210	0.000	1	119.3210	0.000	1	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:O-1:	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC)(O)	N(C[6a]C[6a]2)(CC[6a]2C)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC)(O)	119.6460	1.032	2	119.6460	1.066	2	119.6460	1.066	2	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:H-1:	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OPd)(H)	N(C[6a]C[6a]2)(CH3)(CHO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(OPd)(H)	126.8470	0.000	1	126.8470	0.000	1	126.8470	0.000	1	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CC3)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OSi)(O)	N(C[6a]C[6a]2)(CC3)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OSi)(O)	118.5885	0.629	2	118.5885	0.395	2	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	122.8150	0.000	1	122.8150	0.000	1	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|O<2>}	C(NC[6a]C)(OC)(O)	123.2910	0.555	3	122.3650	3.635	4	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	119.5870	0.000	1	122.3650	3.635	4	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CCHH)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C(NC[6a]C)(OC)(O)	123.7050	0.000	1	123.7050	0.000	1	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NCC){1|Cl<1>,1|C<3>,1|N<3>}	C(NC[6a]C)(OC)(O)	119.7250	0.000	1	119.7250	0.000	1	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	121.3510	0.000	1	121.3510	0.000	1	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	125.3970	0.000	1	125.3970	0.000	1	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|C<3>,2|S<2>,3|H<1>}	C(NC[6a]C)(OC)(O)	122.3560	0.000	1	122.3560	0.000	1	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]N[6a]N)2(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CH3)(COO)	C[6a](C[6a]N[6a]N)2(NCC){1|C<3>}	C(NC[6a]C)(OC)(O)	122.5105	0.015	2	122.5105	0.000	2	121.9291	4.338	14	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:S-1:	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OC[6a])(S)	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(OC[6a])(S)	123.0270	0.000	1	123.0270	0.000	1	123.0270	0.000	1	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:O-1:	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SN)(O)	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SN)(O)	122.5170	0.000	1	122.5170	0.000	1	122.9394	0.341	7	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:O-1:	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SS)(O)	N(C[6a]C[6a]2)(CH3)(COS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SS)(O)	123.0098	0.606	6	123.0098	0.367	6	122.9394	0.341	7	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:S-1:	N(C[6a]C[6a]2)(CCHH)(CSS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SS)(S)	N(C[6a]C[6a]2)(CCHH)(CSS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SS)(S)	121.7020	0.000	1	121.7020	0.000	1	122.6550	0.805	3	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:S-1:	N(C[6a]C[6a]2)(CH3)(CSS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SS)(S)	N(C[6a]C[6a]2)(CH3)(CSS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SS)(S)	123.1315	0.497	2	123.1315	0.247	2	122.6550	0.805	3	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(PC[6a]3)(COO)	C[6a](C[6a]C[6a]H)2(NCP)	C(NC[6a]P)(OB)(O)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C(NC[6a]P)(OB)(O)	119.2030	0.000	1	119.2030	0.000	1	119.2030	0.000	1	122.0422	4.231	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-2:	N(C[6a]C[6a]2)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(OSi)(OB)	N(C[6a]C[6a]2)(CCCH)(COO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OSi)(OB)	120.1820	0.000	1	120.1820	0.000	1	120.1820	0.000	1	122.1440	1.665	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SRe)(NC)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SRe)(NC)	123.0600	0.726	4	123.0600	0.527	4	123.0900	0.280	7	122.1440	1.665	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:N-2:	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SRe)(NN)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SRe)(NN)	123.1300	0.214	3	123.1300	0.046	3	123.0900	0.280	7	122.1440	1.665	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:S-2:	N(C[6a]C[6a]2)(CCHH)(CSS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SCd)2	N(C[6a]C[6a]2)(CCHH)(CSS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SCd)2	120.4735	0.271	2	120.4735	0.073	2	120.9790	0.365	4	122.1440	1.665	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-2:S-2:	N(C[6a]C[6a]2)(CH3)(CSS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SCd)2	N(C[6a]C[6a]2)(CH3)(CSS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SCd)2	121.4845	0.006	2	121.4845	0.000	2	120.9790	0.365	4	122.1440	1.665	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:2:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a])(NCC)	120.8440	0.537	2	120.8440	0.289	2	120.8440	0.289	2	120.8440	0.289	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NBC)	C(C[6a]C[6a]2)(NC[6a]B)(H)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]B)(H)	118.3660	0.000	1	118.3660	0.000	1	118.3660	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[5a,6a]-3:C[6a,6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NCC){1|H<1>,4|C<3>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)2(O)	124.4170	0.000	1	124.4170	0.000	1	124.4170	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCCH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(CB[5a]C[6a])(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCCH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CB[5a]C[6a])(NC[6a]C)(H)	122.9095	0.397	2	122.9095	0.157	2	122.9095	0.157	2	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(CC[6a]O)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	120.0340	0.000	1	120.0340	0.000	1	121.5488	0.969	6	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]O)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	121.1800	0.000	1	121.1800	0.000	1	121.5488	0.969	6	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]O)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	121.8700	0.000	1	121.8700	0.000	1	121.5488	0.969	6	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(CC[6a]O)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	121.2570	0.000	1	122.1180	1.483	2	121.5488	0.969	6	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(CC[6a]O)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	122.9790	0.000	1	122.1180	1.483	2	121.5488	0.969	6	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]N)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]N)(NC[6a]C)(O)	121.9730	0.000	1	121.9730	0.000	1	121.5488	0.969	6	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[5]C[5]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[5]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]C)(O)	121.9840	0.000	1	121.9840	0.000	1	121.9840	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(C[6]C[6]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]C)(O)	122.7380	0.636	2	122.7380	0.405	2	122.6250	0.241	3	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6]C[6]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]C)(O)	122.3990	0.000	1	122.3990	0.000	1	122.6250	0.241	3	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6]C[6]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6]S)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]C)(S)	123.4250	0.000	1	123.4250	0.000	1	123.4250	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[3]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	125.8440	0.000	1	125.8440	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5,6]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.6315	0.121	4	122.6315	0.015	4	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.8020	0.000	1	122.8020	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[5a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.1910	0.151	2	121.1910	0.023	2	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.3770	0.000	1	121.3770	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.7800	0.000	1	124.7800	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|B<3>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.9140	0.000	1	121.6505	3.193	2	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	120.3870	0.000	1	121.6505	3.193	2	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[5,6a]C)(C[6a]C[6a]Si)(NCC){1|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.6375	2.237	2	124.6375	5.002	2	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]N[6a]N)(NCC){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.2250	0.000	1	124.2250	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(NCC)	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C)(O)	123.5705	0.251	2	123.5705	0.063	2	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	122.3315	0.306	2	122.3315	0.094	2	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	125.2860	0.000	1	125.2860	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	124.8420	0.000	1	124.8420	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	121.8390	0.000	1	121.8390	0.000	1	123.1038	2.439	22	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(S)	121.0705	0.540	2	121.0705	0.291	2	121.0705	0.291	2	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CAlHH)(CCH)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CHN)(H)	N(C[6a]C[6a]2)(CAlHH)(CCH)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHN)(H)	118.0765	0.132	2	118.0765	0.017	2	119.8185	3.009	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CAlHH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHN)(H)	N(C[6a]C[6a]2)(CAlHH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHN)(H)	117.9010	0.000	1	117.9010	0.000	1	119.8185	3.009	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CBeCH)(CCH)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CHN)(H)	N(C[6a]C[6a]2)(CBeCH)(CCH)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHN)(H)	119.1840	0.000	1	119.1840	0.000	1	119.8185	3.009	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CHH)(H)	N(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]C)(CHH)(H)	119.7060	0.000	1	119.7060	0.000	1	119.8185	3.009	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCC)(H)	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(H)	117.9770	0.000	1	117.9770	0.000	1	119.8185	3.009	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCH)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(H)	121.8287	0.341	4	121.8287	0.116	4	119.8185	3.009	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCO)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCO)(H)	119.7670	0.000	1	119.7670	0.000	1	119.8185	3.009	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	124.2690	0.000	1	124.2690	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,1|C<4>,1|O<2>}	C(NC[6a]C)(CCC)(O)	122.3500	0.000	1	122.3500	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	120.3910	0.000	1	120.3910	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(CNO)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CNO)(O)	123.3630	1.121	2	123.3630	1.258	2	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	118.9750	0.000	1	118.9750	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	123.0970	0.000	1	123.0970	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	123.8950	0.000	1	123.8950	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	121.0650	0.000	1	121.0650	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	123.0510	0.542	2	123.0510	0.293	2	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	124.4155	1.862	2	124.4155	3.466	2	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	121.0790	0.000	1	121.0790	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	122.6780	0.000	1	122.6780	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	123.7903	1.418	3	123.7903	2.011	3	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCN)(O)	120.3870	2.616	2	120.3870	6.845	2	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	124.5060	0.000	1	124.5060	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	124.2650	0.276	2	124.2650	0.076	2	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	123.8800	0.000	1	123.8800	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	117.3050	0.000	1	117.3050	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CBrC)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CBrC)(O)	122.9300	0.000	1	122.9300	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	123.5587	0.523	3	123.5587	0.273	3	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCH)(O)	124.4110	0.000	1	124.4110	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCO)(O)	123.5242	0.552	4	123.5242	0.304	4	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(COO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(COO)(O)	123.3200	0.000	1	123.3200	0.000	1	122.8931	3.324	35	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:S-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCC)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(S)	120.1825	1.628	2	120.1825	2.652	2	120.1825	2.652	2	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CCCH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCCH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(H)	117.0690	0.693	2	117.0690	0.480	2	119.1869	10.706	19	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(H)	118.3999	1.541	7	118.3999	2.374	7	119.1869	10.706	19	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]Pd)(NC[6a]C)(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]C)(H)	117.8390	0.000	1	117.8390	0.000	1	119.1869	10.706	19	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(H)	117.2430	0.598	2	117.2430	0.358	2	119.1869	10.706	19	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(H)	117.5340	2.168	2	117.5340	4.700	2	119.1869	10.706	19	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(H)	122.2600	4.867	4	122.2600	23.686	4	119.1869	10.706	19	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CH3)(CHN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(H)	125.1820	0.000	1	125.1820	0.000	1	119.1869	10.706	19	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CCCH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCCH)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	121.9420	0.000	1	121.9420	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(NCH)(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCH)(O)	123.5900	0.000	1	123.5900	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	122.5080	1.440	5	122.5080	2.073	5	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCC)(O)	117.8470	0.000	1	117.8470	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CErNO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6]Er)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CErNO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6]Er)(NC[6a]C)(O)	115.8835	0.098	2	115.8835	0.010	2	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)2(O)	124.1620	0.000	1	124.2290	2.607	8	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	124.2386	1.744	7	124.2290	2.607	8	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	122.9745	0.372	4	122.9745	0.138	4	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	123.9100	0.000	1	123.9100	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	116.1980	0.000	1	116.1980	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	123.6410	0.000	1	123.6410	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	124.2110	0.429	2	124.2110	0.184	2	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCC)(O)	123.7640	0.000	1	123.7640	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NN[5]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NN[5]H)(O)	123.3860	0.000	1	123.3860	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)2(O)	122.9280	0.000	1	121.9452	3.640	32	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]C)2(O)	122.3110	2.129	8	121.9452	3.640	32	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	122.3295	1.829	12	121.9452	3.640	32	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C(NC[6a]C)2(O)	118.9970	0.000	1	121.9452	3.640	32	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C(NC[6a]C)2(O)	121.3447	1.312	7	121.9452	3.640	32	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	C(NC[6a]C)2(O)	121.4890	3.029	3	121.9452	3.640	32	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNOY)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6]Y)(O)	N(C[6a]C[6a]2)(CNOY)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6]Y)(O)	114.0050	1.116	2	114.0050	1.245	2	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CYbNO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6]Yb)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CYbNO)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6]Yb)(NC[6a]C)(O)	116.4200	0.000	1	116.4200	0.000	1	121.8658	7.832	64	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CCHH)(CNS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CCHH)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCH)(S)	122.1430	0.000	1	122.1430	0.000	1	122.6880	1.630	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCH)(S)	122.9240	0.000	1	122.9240	0.000	1	122.6880	1.630	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(NCC){2|C<3>}	C(NC[6a]C)(NCH)(S)	119.5720	0.000	1	119.5720	0.000	1	122.6880	1.630	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCH)(S)	123.4443	0.638	6	123.4443	0.407	6	122.6880	1.630	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NHN)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NHN)(S)	122.1315	0.392	2	122.1315	0.154	2	122.6880	1.630	11	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-3:H-1:	N(C[6a]C[6a]2)(CHHS)(CHS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SFe2)(H)	N(C[6a]C[6a]2)(CHHS)(CHS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SFe2)(H)	121.1050	0.000	1	121.1050	0.000	1	121.1050	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[5]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C)	C(NC[6a]C[5])(CCC)(O)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C){1|C<3>,2|H<1>}	C(NC[6a]C[5])(CCC)(O)	124.1110	0.000	1	124.1110	0.000	1	124.1110	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	120.5210	0.000	1	120.5210	0.000	1	120.5210	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C)	C(NC[6a]C[6])(CCC)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CCC)(O)	124.2180	0.095	2	124.2180	0.009	2	122.6927	3.277	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C)	C(NC[6a]C[6])(CC[6a]O)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CC[6a]O)(O)	121.6750	0.000	1	121.6750	0.000	1	122.6927	3.277	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C(NC[6a]C[6])(CCH)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CCH)(O)	120.6600	0.000	1	120.6600	0.000	1	122.6927	3.277	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Cl-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NClC)	C(NC[6a]Cl)(CCH)(H)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NClC){1|C<3>,2|H<1>}	C(NC[6a]Cl)(CCH)(H)	119.5870	0.000	1	119.5870	0.000	1	119.5870	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Ga-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(GaCl2C)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC)	C(NC[6a]Ga)(CHN)(H)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC){1|C<3>,2|H<1>}	C(NC[6a]Ga)(CHN)(H)	116.1100	0.000	1	116.1100	0.000	1	116.0165	0.267	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Ga-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(GaCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC)	C(NC[6a]Ga)(CHN)(H)	N(C[6a]C[6a]2)(GaCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC){1|C<3>,2|H<1>}	C(NC[6a]Ga)(CHN)(H)	115.8570	0.830	2	115.8570	0.689	2	116.0165	0.267	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Ga-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(GaClCC)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC)	C(NC[6a]Ga)(CHN)(H)	N(C[6a]C[6a]2)(GaClCC)(CCH)	C[6a](C[6a]C[6a]C)2(NGaC){1|C<3>,2|H<1>}	C(NC[6a]Ga)(CHN)(H)	116.2420	0.000	1	116.2420	0.000	1	116.0165	0.267	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(PC[6a]2Ir)(CHN)	C[6a](C[6a]C[6a]C)2(NCP)	C(NC[6a]Ir)(NC[6a]P)(H)	N(C[6a]C[6a]2)(PC[6a]2Ir)(CHN)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C(NC[6a]Ir)(NC[6a]P)(H)	119.2630	0.000	1	119.2630	0.000	1	119.3690	0.022	2	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:H-1:	N(C[6a]C[6a]2)(PC[6a]2Pd)(CHN)	C[6a](C[6a]C[6a]C)2(NCP)	C(NC[6a]Pd)(NC[6a]P)(H)	N(C[6a]C[6a]2)(PC[6a]2Pd)(CHN)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C(NC[6a]Pd)(NC[6a]P)(H)	119.4750	0.000	1	119.4750	0.000	1	119.3690	0.022	2	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NCS)	C(C[5]C[5]2)(NC[6a]S)(H)	N(C[6a]C[6a]2)(SC[6]OO)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]S)(H)	121.7290	0.000	1	121.7290	0.000	1	121.7848	0.151	5	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NCS)	C(C[5]C[5]2)(NC[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C[6a](C[6a]C[6a]C)2(NCS){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]S)(H)	121.6165	0.600	2	121.6165	0.360	2	121.7848	0.151	5	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NCS)	C(C[5]C[5]2)(NC[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[5]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(C[5]C[5]2)(NC[6a]S)(H)	121.9810	0.330	2	121.9810	0.109	2	121.7848	0.151	5	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NCS)	C(C[6]C[6]2)(NC[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]S)(H)	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C(C[6a]C[6a]2)(NC[6a]S)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]S)(O)	123.6020	0.294	2	123.6020	0.087	2	122.4232	1.937	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS)	C(C[6a]C[6a]2)(NC[6a]S)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NCS){1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NC[6a]S)(O)	121.5330	0.000	1	121.5330	0.000	1	122.4232	1.937	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCS)	C(C[6a]C[6a]2)(NC[6a]S)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]S)(O)	120.9560	0.000	1	120.9560	0.000	1	122.4232	1.937	4	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C(NC[6a]S)(CBrC)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CBrC)(H)	120.6960	0.000	1	120.6960	0.000	1	120.1055	0.697	2	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NCS)	C(NC[6a]S)(CCH)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CCH)(H)	119.5150	0.000	1	119.5150	0.000	1	120.1055	0.697	2	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS)	C(NC[6a]S)(CCH)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CCH)(O)	119.2080	0.000	1	119.2080	0.000	1	119.2080	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(SiCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NSiC)	C(NC[6a]Si)(CHN)(H)	N(C[6a]C[6a]2)(SiCl3)(CCH)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C(NC[6a]Si)(CHN)(H)	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	121.6631	6.770	211	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-2:	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	C[6a](C[6a]C[6a]H)2(NBC)	C(CC[6a]C)(NC[6a]B)(OB)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]B)(OB)	118.4250	0.314	2	118.4250	0.099	2	118.4250	0.099	2	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)2(NH)	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)2(NH)	121.7720	0.000	1	121.7720	0.000	1	121.1465	0.916	4	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CCHH)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(NC[6a])	N(C[6a]C[6a]2)(CCHH)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(NC[6a])	121.1555	1.394	2	121.1555	1.942	2	121.1465	0.916	4	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NHH)(NC)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NHH)(NC)	120.5030	0.000	1	120.5030	0.000	1	121.1465	0.916	4	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-2:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(OP)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(OP)	121.6680	1.571	2	121.6680	2.469	2	121.6680	2.469	2	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:Ga-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-2:	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NGaC)	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NGaC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	121.5070	0.000	1	121.5070	0.000	1	121.5070	0.000	1	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:N-2:	N(C[6a]C[6a]2)(SCOO)(CCN)	C[6a](C[6a]C[6a]H)2(NCS)	C(CC[6a]H)(NC[6a]S)(NC)	N(C[6a]C[6a]2)(SCOO)(CCN)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(CC[6a]H)(NC[6a]S)(NC)	117.7410	0.000	1	117.7410	0.000	1	117.7410	0.000	1	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(SiC3)(CNN)	C[6a](C[6a]C[6a]C)2(NSiC)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(SiC3)(CNN)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C(NC[6a]Si)(NC[6a]H)(NC[6a])	119.6890	0.412	2	119.6890	0.169	2	119.6890	0.169	2	120.2832	2.534	12	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(NBC)	C(NC[6a]B)(NCH)2	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C(NC[6a]B)(NCH)2	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-3:	N(C[6a]C[6a]2)(CH3)(CCN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(CH3)(CCN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(CCN)	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(NCC)2	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|H<1>,1|N<2>}	C(NC[6a]C)(NCC)2	121.0650	0.000	1	121.0650	0.000	1	121.2551	0.817	10	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(NCC)	121.2600	1.530	4	121.2600	2.341	4	121.2551	0.817	10	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(NHH)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(NHH)	121.3380	0.283	4	121.3380	0.080	4	121.2551	0.817	10	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)2(NRhH)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]Rh)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(NRhH)	121.0940	0.000	1	121.0940	0.000	1	121.2551	0.817	10	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:N-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(NC[6a]Li2)(CNN)	C[6a](C[6a]C[6a]H)2(NCN)	C(NC[6a]N)(NLiC)(NCH)	N(C[6a]C[6a]2)(NC[6a]Li2)(CNN)	C[6a](C[6a]C[6a]H)2(NCN){1|C<3>,2|H<1>}	C(NC[6a]N)(NLiC)(NCH)	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(PFeOO)(CCC)	C[6a](C[6a]C[6a]H)2(NCP)	C(NC[6a]P)(CCC)(COO)	N(C[6a]C[6a]2)(PFeOO)(CCC)	C[6a](C[6a]C[6a]H)2(NCP){1|C<3>,2|H<1>}	C(NC[6a]P)(CCC)(COO)	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:C-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NCS)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	120.0770	0.000	1	120.0770	0.000	1	120.0770	0.000	1	120.6056	3.876	15	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	C[6a](C[6a]C[6a]H)2(NBC)	C(NC[6a]B)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C(NC[6a]B)(NC[6a]H)(CH3)	118.0830	0.000	1	118.0830	0.000	1	118.0830	0.000	1	120.0850	6.246	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:4:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:In-4:	N(C[6a]C[6a]2)(CCHH)(CInN)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)2(InBr3)	N(C[6a]C[6a]2)(CCHH)(CInN)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(InBr3)	121.0860	2.546	2	121.0860	6.480	2	121.0860	6.480	2	120.0850	6.246	3	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)(CH3)(O)	124.3160	0.000	1	124.3160	0.000	1	123.1810	2.576	2	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C(NC[6a]C)(CCHH)(O)	122.0460	0.000	1	122.0460	0.000	1	123.1810	2.576	2	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:H-1:	N(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(H)	N(C[6a]C[6a]2)(CCHH)(CCH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>}	C(NC[6a]C)(CH3)(H)	121.5090	0.000	1	121.5090	0.000	1	121.5800	0.010	2	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:H-1:	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHO)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHO)(H)	121.6510	0.000	1	121.6510	0.000	1	121.5800	0.010	2	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CBHH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CC3)(O)	N(C[6a]C[6a]2)(CBHH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CC3)(O)	116.1820	0.285	3	116.1820	0.081	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHN)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHN)(O)	122.5380	0.000	1	122.5380	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CHHO)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(CHHO)(O)	121.6040	0.000	1	121.6040	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CCHO)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHO)(O)	122.4710	0.000	1	122.4710	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCl2H)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCl2H)(O)	123.1260	1.103	2	123.1260	1.217	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CClHH)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CClHH)(O)	122.2200	1.219	2	122.2200	1.486	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CClHH)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CClHH)(O)	121.0400	0.000	1	121.0400	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CF3)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CF3)(O)	125.1710	0.000	1	125.1710	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHO)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHO)(O)	121.8767	0.272	3	121.8767	0.074	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]S)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)(CCHH)(O)	122.6840	0.000	1	122.6840	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	121.9780	0.000	1	121.9780	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHN)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHN)(O)	123.5490	0.000	1	123.5490	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	123.9235	0.534	2	123.9235	0.285	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	122.1925	1.797	2	122.1925	3.228	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	122.5387	0.230	3	122.5387	0.053	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	123.1820	0.000	1	123.1820	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(O)	124.2653	0.225	3	124.2653	0.050	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	123.3853	0.731	15	123.3956	0.500	16	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|Cl<1>,1|C<3>,1|H<1>}	C(NC[6a]C)(CCHH)(O)	123.5500	0.000	1	123.3956	0.500	16	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHO)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHO)(O)	122.8880	0.000	1	122.8880	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	123.2950	0.470	3	123.2950	0.221	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	123.7790	0.460	2	123.7790	0.211	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(NC[6a]C)(CHHN)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHN)(O)	121.3260	0.000	1	121.3260	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC)	C(NC[6a]C)(CHHO)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHO)(O)	118.1090	0.011	2	118.1090	0.000	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(CCHO)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHO)(O)	123.4645	0.373	10	123.4645	0.139	10	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	119.6050	0.024	2	119.6050	0.001	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C(NC[6a]C)(CH3)(O)	124.1660	0.000	1	123.6353	0.789	7	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	123.5468	0.939	6	123.6353	0.789	7	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHN)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHN)(O)	122.9560	2.292	9	122.9580	4.671	10	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHN)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C(NC[6a]C)(CHHN)(O)	122.9760	0.000	1	122.9580	4.671	10	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHO)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHO)(O)	122.9942	1.030	4	122.9942	1.062	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	122.8240	0.000	1	122.8240	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHS)(O)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,1|H<1>,1|S<2>}	C(NC[6a]C)(CHHS)(O)	116.8490	0.000	1	116.8490	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	120.6680	0.000	1	120.6680	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CF3)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CF3)(O)	124.0710	0.000	1	124.0710	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|C<4>}	C(NC[6a]C)(CH3)(O)	122.4500	0.000	1	122.6438	1.167	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	122.7083	1.314	3	122.6438	1.167	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	122.8780	0.000	1	122.8780	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(CClHH)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CClHH)(O)	120.8180	0.000	1	120.8180	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	121.0795	0.122	2	121.0795	0.015	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	121.7930	0.000	1	121.7930	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CF3)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CF3)(O)	124.6930	0.973	2	124.6930	0.947	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C(NC[6a]C)(CHHI)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHI)(O)	124.1993	1.189	4	124.1993	1.415	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	123.9035	0.052	2	123.9035	0.003	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CF3)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CF3)(O)	126.3070	0.000	1	126.3070	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	122.2370	0.182	2	122.2370	0.033	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CHHN)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHN)(O)	124.1350	0.000	1	124.1350	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	123.3030	0.000	1	123.3030	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(O)	122.9590	0.671	6	122.9590	0.450	6	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	123.1403	0.973	3	123.1403	0.946	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHO)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHO)(O)	121.9780	0.000	1	121.9780	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	122.0320	0.000	1	122.0320	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CBrCH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CBrCH)(O)	125.2120	0.000	1	125.2120	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(O)	123.9515	0.650	2	123.9515	0.422	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	123.6810	0.000	2	123.6810	0.000	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHN)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHN)(O)	123.3280	0.000	1	123.3280	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CClHH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CClHH)(O)	N(C[6a]C[6a]2)(CClHH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CClHH)(O)	123.1230	0.000	1	123.1230	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CFeCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CC3)(O)	N(C[6a]C[6a]2)(CFeCC)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CC3)(O)	123.3880	0.000	1	123.3880	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)(CCCH)(O)	123.9210	0.000	1	123.9210	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C(NC[6a]C)(CCHH)(O)	123.2998	0.133	4	123.2998	0.018	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)(CH3)(O)	122.8965	0.513	2	122.8965	0.263	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CBrCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(CBrCH)(O)	124.4360	0.000	1	124.4360	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(O)	125.2490	0.000	1	125.2490	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	122.4030	0.000	1	122.4030	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHN)(O)	123.9805	0.902	2	123.9805	0.813	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CH3)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	127.2090	0.000	1	127.2090	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CHHN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHN)(O)	123.9935	0.262	2	123.9935	0.069	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CHNO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHNO)(O)	122.8700	0.261	4	122.8700	0.068	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CCCN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCN)(O)	124.0340	0.000	1	124.0340	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CCHN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHN)(O)	123.7210	0.905	2	123.7210	0.819	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CC3)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CC3)(O)	125.1495	0.346	2	125.1495	0.120	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(O)	123.0981	0.605	21	123.0981	0.366	21	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(CCHH)(O)	122.6543	0.437	3	122.5667	0.158	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	122.3040	0.000	1	122.5667	0.158	4	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CClHH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CClHH)(O)	124.0000	0.000	1	124.0000	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(O)	124.8993	0.649	3	124.8993	0.421	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCCN)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCN)(O)	117.0350	0.000	1	117.0350	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(O)	123.9830	1.374	3	123.9830	1.887	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHO)(O)	123.9770	0.088	2	123.9770	0.008	2	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCHS)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHS)(O)	124.1603	0.806	3	124.1603	0.650	3	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CCl2H)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCl2H)(O)	124.6410	0.000	1	124.6410	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CClCH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CClCH)(O)	124.1800	0.000	1	124.1800	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CClHH)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CClHH)(O)	122.9610	0.000	1	122.9610	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CHHO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CHHO)(O)	123.2582	0.635	5	123.2582	0.403	5	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CHHO)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCHH)(O)	N(C[6a]C[6a]2)(CHHO)(CCO)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)(CCHH)(O)	122.6910	0.000	1	122.6910	0.000	1	123.0382	2.690	203	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:S-1:	N(C[6a]C[6a]2)(CCHH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCHH)(S)	N(C[6a]C[6a]2)(CCHH)(CCS)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCHH)(S)	122.2490	0.506	3	122.2490	0.256	3	123.0184	1.244	5	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:S-1:	N(C[6a]C[6a]2)(CH3)(CCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCCH)(S)	N(C[6a]C[6a]2)(CH3)(CCS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C)(CCCH)(S)	124.1725	0.153	2	124.1725	0.024	2	123.0184	1.244	5	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C)	C(NC[6a]C[6])(CH3)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CH3)(O)	121.7138	0.797	4	121.7138	0.636	4	121.6505	0.352	14	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C)	C(NC[6a]C[6])(CH3)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CH3)(O)	122.1460	0.000	1	122.1460	0.000	1	121.6505	0.352	14	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C(NC[6a]C[6])(CCHH)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CCHH)(O)	121.5673	0.542	9	121.5673	0.293	9	121.6505	0.352	14	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(SCOO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS)	C(NC[6a]S)(CH3)(O)	N(C[6a]C[6a]2)(SCOO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CH3)(O)	122.5285	0.814	2	122.5285	0.662	2	122.0273	0.605	7	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C(NC[6a]S)(CCHH)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CCHH)(O)	121.7200	1.034	3	121.7200	1.069	3	122.0273	0.605	7	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C(NC[6a]S)(CCCH)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CCCH)(O)	121.8410	0.000	1	121.8410	0.000	1	122.0273	0.605	7	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C(NC[6a]S)(CCHH)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CCHH)(O)	122.1330	0.000	1	122.1330	0.000	1	122.0273	0.605	7	122.9128	2.560	233	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCCH)(OPd)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCCH)(OPd)	120.1300	0.871	2	120.1300	0.759	2	122.5383	17.780	3	121.9442	13.265	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(NC[6a]C)(CFeCS)(OFe)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CFeCS)(OFe)	127.3550	0.000	1	127.3550	0.000	1	122.5383	17.780	3	121.9442	13.265	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:2:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-2:	N(C[6a]C[6a]2)(PPdCC)(CCO)	C[6a](C[6a]C[6a]C)2(NCP)	C(NC[6a]P)(CH3)(OPd)	N(C[6a]C[6a]2)(PPdCC)(CCO)	C[6a](C[6a]C[6a]C)2(NCP){1|C<3>,2|H<1>}	C(NC[6a]P)(CH3)(OPd)	120.1620	0.000	1	120.1620	0.000	1	120.1620	0.000	1	121.9442	13.265	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:Ga-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(GaCl2N)(CCC)	C[6a](C[6a]C[6a]H)2(NGaC)	C(NC[6a]Ga)(CH3)(CCN)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	C[6a](C[6a]C[6a]H)2(NGaC){1|C<3>,2|H<1>}	C(NC[6a]Ga)(CH3)(CCN)	118.8345	0.353	2	118.8345	0.125	2	118.8345	0.125	2	118.0539	4.203	7	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:Nb-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(NbNNS)(CCC)	C[6a](C[6a]C[6a]C)2(NNbC)	C(NC[6a]Nb)(CH3)(CCH)	N(C[6a]C[6a]2)(NbNNS)(CCC)	C[6a](C[6a]C[6a]C)2(NNbC){1|C<3>,2|H<1>}	C(NC[6a]Nb)(CH3)(CCH)	118.6590	0.000	1	118.6590	0.000	1	118.6590	0.000	1	118.0539	4.203	7	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C(NC[6a]S)(CCHH)(CHS)	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CCHH)(CHS)	121.4920	0.000	1	121.4920	0.000	1	117.8203	10.599	3	118.0539	4.203	7	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS)	C(NC[6a]S)(CHHS)(CCH)	N(C[6a]C[6a]2)(SCOO)(CCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CHHS)(CCH)	116.6830	0.000	1	116.6830	0.000	1	117.8203	10.599	3	118.0539	4.203	7	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C[6a](C[6a]C[6a]H)2(NCS)	C(NC[6a]S)(CH3)(CHI)	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CH3)(CHI)	115.2860	0.000	1	115.2860	0.000	1	117.8203	10.599	3	118.0539	4.203	7	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:Si-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(SiHOO)(CCC)	C[6a](C[6a]C[6a]C)2(NSiC)	C(NC[6a]Si)(CH3)(CCH)	N(C[6a]C[6a]2)(SiHOO)(CCC)	C[6a](C[6a]C[6a]C)2(NSiC){1|C<3>,2|H<1>}	C(NC[6a]Si)(CH3)(CCH)	116.5880	0.000	1	116.5880	0.000	1	116.5880	0.000	1	118.0539	4.203	7	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC)	C(CC[6a]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCC){1|C<3>,2|H<1>}	C(CC[6a]2H)(NC[6a]C)(O)	123.2900	0.000	1	123.2900	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(CC[6a]ClH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]ClH)(NC[6a]C)(O)	121.8670	0.000	1	121.8670	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC)	C(CN[5a]HH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]C)2(NCC){1|C<3>,2|H<1>}	C(CN[5a]HH)(NC[6a]C)(O)	122.8590	0.000	1	122.8590	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[3]HH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[3]HH)(NC[6a]C)(O)	118.4307	0.895	3	118.4307	0.802	3	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(CC[6a]HH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C(CC[6a]HH)(NC[6a]C)(O)	123.2620	0.006	2	123.2620	0.000	2	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC)	C(CC[6a]CH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(NCC){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6a]C)(O)	123.6960	0.000	1	123.6960	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C(CC[6]CC)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(CC[6]CC)(NC[6a]C)(O)	127.1590	0.000	1	127.1590	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC)	C(CN[6]HH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCC){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(CN[6]HH)(NC[6a]C)(O)	121.9780	0.000	1	121.9780	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6]HH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6]HH)(NC[6a]C)(O)	123.5030	0.000	1	123.5030	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]FN)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]FN)(NC[6a]C)(O)	127.3205	0.351	2	127.3205	0.124	2	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CC[6a]HO)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CC[6a]HO)(NC[6a]C)(O)	123.4475	0.060	2	123.4475	0.004	2	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CN[5]HH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CN[5]HH)(NC[6a]C)(O)	123.0760	0.000	1	123.0760	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(CN[5a]HH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(CN[5a]HH)(NC[6a]C)(O)	123.0550	0.000	1	123.0550	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC)	C(CN[5]PdH)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(CN[5]PdH)(NC[6a]C)(O)	123.6290	0.000	1	123.6290	0.000	1	123.0244	6.839	19	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[3]C[3]O[3]Cl)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[3]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[3]C[3]O[3]Cl)(NC[6a]C)(O)	124.5230	0.000	1	124.5230	0.000	1	124.5230	0.000	1	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[4]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[4]C[4]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CC[4]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[4]C[4]2H)(NC[6a]C)(O)	122.6147	2.145	3	122.6147	4.603	3	122.6147	4.603	3	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[5]C[5]2Fe)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]CH)(CC[5]O)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[5]C[5]2Fe)(NC[6a]C)(O)	122.3010	0.000	1	122.3010	0.000	1	122.3010	0.000	1	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS)	C(CC[6a]CH)(NC[6a]S)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCS){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6a]S)(O)	122.3810	0.000	1	122.3810	0.000	1	123.5001	1.316	8	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS)	C(CC[5a]C[6a]H)(NC[6a]S)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(CC[5a]C[6a]H)(NC[6a]S)(O)	123.0150	0.553	4	123.0150	0.306	4	123.5001	1.316	8	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS)	C(CC[6a]2H)(NC[6a]S)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(CC[6a]2H)(NC[6a]S)(O)	123.8150	0.000	2	123.8150	0.000	2	123.5001	1.316	8	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	4:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-4:N-3:O-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS)	C(CC[6a]CS)(NC[6a]S)(O)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(CC[6a]CS)(NC[6a]S)(O)	125.9300	0.000	1	125.9300	0.000	1	123.5001	1.316	8	123.1292	4.718	32	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:1:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:Cl-1:S-1:	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CClS)	C[6a](C[6a]C[6a]C)2(NC[5]C)	C(NC[6a]C[5])(Cl)(S)	N(C[5]C[5]2Fe)(C[6a]C[6a]2)(CClS)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C(NC[6a]C[5])(Cl)(S)	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	120.9420	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:2:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C)	C(NC[6a]C[5])(OC)(O)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[5]C){1|C<3>,2|H<1>}	C(NC[6a]C[5])(OC)(O)	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:S-1:	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NBC)	C(CC[6a]C)(NC[6a]B)(S)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	C(CC[6a]C)(NC[6a]B)(S)	116.3940	0.000	1	116.3940	0.000	1	116.3940	0.000	1	118.5468	7.356	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C[4,4]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C[6a]-3:O-1:	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(NC[4,4]C)	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	N(C[4,4]P[3,4,4]2N)(C[6a]C[6a]2)(CC[6a]O)	C[6a](C[6a]C[6a]C)2(NC[4,4]C){1|C<3>,2|H<1>}	C(NC[4,4]C[6a])(C[6a]C[6a]2)(O)	116.9520	0.874	2	116.9520	0.764	2	116.9520	0.764	2	118.5468	7.356	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(NC[5]C)	C(NC[6a]C[5])(NC[6a]H)(O)	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	C[6a](C[6a]C[6a]C)2(NC[5]C){1|C<3>,2|H<1>}	C(NC[6a]C[5])(NC[6a]H)(O)	122.7460	0.000	1	122.7460	0.000	1	122.7460	0.000	1	118.5468	7.356	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C)	C(NC[6a]C[6])(CCH)(O)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	C(NC[6a]C[6])(CCH)(O)	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	118.5468	7.356	5	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:4:1:	C-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(CH3)(O)	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CH3)(O)	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.3452	0.340	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C(NC[6a]C[6])(CH3)(O)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]C[6])(CH3)(O)	120.6070	0.000	1	121.3780	0.504	3	121.3780	0.504	3	121.3452	0.340	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	4:3:3:	3:3:3:	3:4:1:	C[6]-4:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	C(NC[6a]C[6])(CH3)(O)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	C(NC[6a]C[6])(CH3)(O)	121.7635	0.342	2	121.3780	0.504	3	121.3780	0.504	3	121.3452	0.340	4	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	5:3:3:	3:3:3:	3:3:2:	Si[3,3]-5:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C[6a]-3:N-2:	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NSi[3,3]C)	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	C[6a](C[6a]C[6a]C)2(NSi[3,3]C){1|C<3>,2|H<1>}	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	125.5110	0.000	1	125.5110	0.000	1	125.5110	0.000	1	125.5110	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	5:3:3:	3:3:3:	3:4:3:	Si[4]-5:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]H)2(NSi[4]C)	C(NC[6a]Si[4])(CF3)(CFF)	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>}	C(NC[6a]Si[4])(CF3)(CFF)	115.3200	0.000	2	115.3200	0.000	2	115.3200	0.000	2	115.3200	0.000	2	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	6:3:3:	3:3:3:	3:4:3:	Nb[3,3]-6:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NNb[3,3]C)	C(NNb[3,3]C[6a])(CH3)(CCH)	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NNb[3,3]C){1|C<3>,2|H<1>}	C(NNb[3,3]C[6a])(CH3)(CCH)	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	114.7800	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP2_SP2_SP2	N	C[6a]	C	8:3:3:	3:3:3:	3:4:3:	Nb[5x3]-8:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NNb[5x3]C)	C(NNb[5x3]C[6a])(CH3)(CCH)	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	C[6a](C[6a]C[6a]C)2(NNb[5x3]C){1|C<3>,2|H<1>}	C(NNb[5x3]C[6a])(CH3)(CCH)	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	125.9432	11.386	9099	125.9432	11.386	9099
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:2:3:	3:3:3:	3:4:1:	C[6a]-3:O-2:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO)	C(NC[6a]O)(CH3)(O)	N(C[6a]C[6a]2)(OC[6])(CCO)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(CH3)(O)	124.5195	1.276	2	124.5195	1.629	2	124.5195	1.629	2	124.5195	1.629	2	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:2:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]H)(NN)	123.8380	0.000	1	123.8380	0.000	1	123.8380	0.000	1	123.8380	0.000	1	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:2:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-2:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NC[6a])2	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NC[6a])2	124.9370	0.000	1	124.9370	0.000	1	124.9370	0.000	1	124.9370	0.000	1	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	121.7140	0.000	1	121.7140	0.000	1	121.7140	0.000	1	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)2(O)	123.3790	0.000	1	123.3790	0.000	1	123.3790	0.000	1	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)(NHH)(O)	119.6600	0.000	1	119.6600	0.000	1	121.1485	4.431	2	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|C<3>,2|C<4>}	C(NC[6a]H)2(O)	122.6370	0.000	1	122.6370	0.000	1	121.1485	4.431	2	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[5,6]-3:N-3:H-1:	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	N(C[6a]C[6a,6a]C[6a])(CC[5,6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5,6])(NC[6a]H)(H)	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NC[6]C)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NCH){1|H<1>,3|C<3>}	C(NC[6a]H)(NC[6]C)(O)	125.6360	0.000	1	125.6360	0.000	1	125.6360	0.000	1	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.7460	0.000	1	122.7460	0.000	1	124.3655	6.476	8	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	122.6700	0.000	1	122.6700	0.000	1	124.3655	6.476	8	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	120.9140	0.000	1	120.9140	0.000	1	124.3655	6.476	8	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	124.6695	0.262	2	124.6695	0.069	2	124.3655	6.476	8	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	123.2670	0.000	1	123.2670	0.000	1	124.3655	6.476	8	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(H)	C[6a](C[6a]N[6a]C)(C[6a]N[6a]N)(NCH){1|C<3>}	C(C[6a]C[6a]2)(NC[6a]H)(O)	127.9940	0.358	2	127.9940	0.128	2	124.3655	6.476	8	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(NN[5a]C)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C(NC[6a]H)(NN[5a]C)(O)	120.5190	0.000	1	120.5190	0.000	1	123.9534	5.036	7	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]F)2(NCH){1|C<3>,2|F<1>}	C(NC[6a]H)(NCH)(O)	121.2020	0.000	1	121.2020	0.000	1	123.9534	5.036	7	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]C)(NC[6a]H)(O)	124.4785	0.487	2	124.4785	0.237	2	123.9534	5.036	7	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(O)	125.6990	0.000	1	125.6990	0.000	1	123.9534	5.036	7	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(O)	125.6485	1.125	2	125.6485	1.266	2	123.9534	5.036	7	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCH){1|H<1>,4|C<3>}	C(NC[6a]H)2(S)	120.0970	0.000	1	120.0970	0.000	1	124.7955	3.999	18	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C(NC[6a]H)2(S)	124.8741	1.477	13	124.8741	2.183	13	124.7955	3.999	18	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	122.9970	0.000	1	122.9970	0.000	1	124.7955	3.999	18	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCC)(S)	128.1280	0.000	1	128.1280	0.000	1	124.7955	3.999	18	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(NCH)(S)	124.6430	0.000	1	124.6430	0.000	1	124.7955	3.999	18	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:S-1:	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(S)	127.0910	0.000	1	127.0910	0.000	1	124.7955	3.999	18	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[5]-3:N-3:S-1:	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[5]C[5]2)(NC[6a]H)(S)	N(C[6a]C[6a]2)(CN[5]S)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|C<4>}	C(N[5]C[5]2)(NC[6a]H)(S)	128.0540	0.000	1	128.0540	0.000	1	128.0540	0.000	1	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH)	C(N[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCH){1|C<3>,1|F<1>,1|H<1>}	C(N[6]C[6]2)(NC[6a]H)(O)	121.0510	0.000	1	121.0510	0.000	1	122.9975	3.768	4	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:O-1:	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(N[6]C[6]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CN[6]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]H)(O)	123.6463	1.768	3	123.6463	3.126	3	122.9975	3.768	4	124.2005	5.031	44	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(NC[6a]H)2(NC[6a])	122.8620	1.475	2	122.8620	2.176	2	123.2698	1.494	4	123.2698	1.494	4	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:2:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH)	C(NC[6a]H)2(NC[6])	N(C[6a]C[6a]2)(CNN)(H)	C[6a](C[6a]C[6a]C)2(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)2(NC[6])	123.6775	1.281	2	123.6775	1.640	2	123.2698	1.494	4	123.2698	1.494	4	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:N-3:	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH)	C(C[6]C[6]2)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]N)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]H)(NCC)	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	126.0760	1.878	2	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	N(C[6a]C[6a]2)(CC[6a]C[5])(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2)(NC[6a]H)	127.0450	0.000	1	127.0450	0.000	1	127.0450	0.000	1	126.0760	1.878	2	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(NC[6a]H)(CH3)(O)	128.4190	0.000	1	128.4190	0.000	1	128.4190	0.000	1	125.4483	12.212	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH)	C(NC[6a]H)(CHHN)(O)	N(C[6a]C[6a]2)(CCO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCH){1|C<3>,2|H<1>}	C(NC[6a]H)(CHHN)(O)	126.3280	0.000	1	126.3280	0.000	1	126.3280	0.000	1	125.4483	12.212	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	3:4:1:	C[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH)	C(NC[6a]H)(CH3)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NCH){1|N<3>,2|O<1>}	C(NC[6a]H)(CH3)(O)	121.5980	0.000	1	121.5980	0.000	1	121.5980	0.000	1	125.4483	12.212	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:1:	3:3:3:	4:3:1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[3]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH)	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[3]O)(H)	C[6a](C[6a]C[6a]H)2(NCH){1|C<3>,2|H<1>}	C(C[3]C[3]O[3]H)(NC[6a]H)(O)	125.4880	0.000	1	125.4880	0.000	1	125.4880	0.000	1	125.4880	0.000	1	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:2:	3:2:3:	3:3:1:	C[6a]-3:C-3:N-2:	C[6a]-3:N[6a]-2:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN)	C(NC[6a]N)(CCH)(O)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NCN){2|H<1>,3|C<3>}	C(NC[6a]N)(CCH)(O)	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	120.8630	0.000	1	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:2:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C(NC[6a]O)(OC)(O)	N(C[6a]C[6a]2)(COO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(OC)(O)	126.0240	1.105	2	126.0240	1.220	2	126.0240	1.220	2	126.0240	1.220	2	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]H)(OC[5])	C[6a](C[6a]C[6a]H)2(NCO){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(NC[6a]O)(H)	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	125.0287	5.528	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO)	C(C[6a]C[6a]2)(NC[6a]O)(O)	N(C[6a]C[6a]2)(CC[6a]O)(OC)	C[6a](C[6a]C[6a]H)2(NCO){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]O)(O)	127.6110	0.000	1	127.6110	0.000	1	127.6110	0.000	1	125.0287	5.528	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:2:	3:3:3:	3:3:1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CNO)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO)	C(NC[6a]O)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCO){1|C<3>,2|H<1>}	C(NC[6a]O)(NHN)(O)	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	125.0287	5.528	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	2:2:3:	3:3:1:	C[6a]-3:C-3:C-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a])2(NCC)	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	N(C[6a]N[6a]2)(CC[6a]O)2	C[6a](N[6a]C[6a])2(NCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6a]C)(O)	117.9323	0.890	4	117.9323	0.792	4	117.9323	0.792	4	117.9323	0.792	4	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(OC)(O)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(OC)(O)	118.3660	1.011	2	118.3660	1.022	2	118.3660	1.022	2	118.3660	1.022	2	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(CC[6a]O)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(CC[6a]O)(NC[6a]C)(O)	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	117.9925	5.190	6	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CCO)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	117.9925	5.190	6	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C(NC[6a]2)(NHH)(O)	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C(NC[6a]2)(NHH)(O)	118.9015	2.300	4	118.9015	5.291	4	118.9015	5.291	4	117.9925	5.190	6	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	C[5a]-3:N[6]-3:N-3:	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(C[5a]C[5a]2)(N[6]C[6]2)(NC[6a]C)	114.9270	0.010	2	114.9270	0.000	2	114.9270	0.000	2	117.1089	5.383	8	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NPtH)(NCC)	115.4150	0.000	1	115.4150	0.000	1	118.6517	5.667	4	117.1089	5.383	8	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CNN)2	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]C)(NHH)	120.1780	0.000	1	120.1780	0.000	1	118.6517	5.667	4	117.1089	5.383	8	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]Pt)(NC[6a]C)(NHH)	119.5070	1.653	2	119.5070	2.733	2	118.6517	5.667	4	117.1089	5.383	8	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6]-3:N-3:N-3:	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(N[6]C[6]2)(NC[6a]C)(NPtH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(N[6]C[6]2)(NC[6a]C)(NPtH)	116.2050	0.018	2	116.2050	0.000	2	116.2050	0.000	2	117.1089	5.383	8	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCCF)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	118.5850	0.000	1	118.5850	0.000	1	117.6612	5.680	5	117.6612	5.680	5	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	117.7667	3.186	3	117.7667	10.148	3	117.6612	5.680	5	117.6612	5.680	5	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(O)	116.4210	0.000	1	116.4210	0.000	1	117.6612	5.680	5	117.6612	5.680	5	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	116.1980	0.000	1	116.1980	0.000	1	117.5090	1.335	3	117.5090	1.335	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	118.1645	0.305	2	118.1645	0.093	2	117.5090	1.335	3	117.5090	1.335	3	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6,6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6,6]C[3x6]C[6,6]H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6,6]O)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(C[6,6]C[3x6]C[6,6]H)(NC[6a]C)(O)	124.5330	0.000	1	124.5330	0.000	1	124.5330	0.000	1	123.5265	2.026	2	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:3:4:	3:3:3:	4:3:1:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6]-4:N-3:O-1:	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(C[6]C[6]2H)(NC[6a]C)(O)	N(C[6a]C[6a]2)(CC[6]O)(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2H)(NC[6a]C)(O)	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	123.5265	2.026	2	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)2(O)	123.2200	0.000	1	123.2200	0.000	1	123.2200	0.000	1	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC)	C(NC[6a]C)(CCC)(O)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(CCC)(O)	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(NCN)(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCN)(O)	121.7990	0.000	1	121.7990	0.000	1	121.3616	3.059	13	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCC)(O)	123.2610	0.000	1	123.2610	0.000	1	121.3616	3.059	13	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(NCC)(O)	123.2540	0.000	1	123.2540	0.000	1	121.3616	3.059	13	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(O)	121.5795	0.035	2	120.9387	3.060	10	121.3616	3.059	13	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|O<2>}	C(NC[6a]C)2(O)	120.3380	0.000	1	120.9387	3.060	10	121.3616	3.059	13	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){1|H<1>,2|C<3>}	C(NC[6a]C)2(O)	121.1245	0.032	2	120.9387	3.060	10	121.3616	3.059	13	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:O-1:	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	C[6a](C[6a]C[6a]H)2(NCC){3|C<3>}	C(NC[6a]C)2(O)	120.7282	2.553	5	120.9387	3.060	10	121.3616	3.059	13	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:S-3:H-1:	N(C[6a]C[6a]2)(CHHS)(CHS)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)(SFe2)(H)	N(C[6a]C[6a]2)(CHHS)(CHS)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)(SFe2)(H)	121.5690	0.000	1	121.5690	0.000	1	121.5690	0.000	1	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS)	C(CC[6a]N[6])(NC[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NCS){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(CC[6a]N[6])(NC[6a]S)(H)	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NCS)	C(C[6]C[6]2)(NC[6a]S)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CC[6]H)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(C[6]C[6]2)(NC[6a]S)(H)	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NCS)	C(NC[6a]S)(CCI)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CCI)(H)	118.4230	0.000	1	118.4230	0.000	1	118.4230	0.000	1	121.2503	3.166	19	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:2:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC)	C(NC[6a]C)2(NH)	N(C[6a]C[6a]2)(CCCH)(CNN)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NCC){2|H<1>,3|C<3>}	C(NC[6a]C)2(NH)	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	110.3670	0.000	1	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:3:3:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC)	C(NC[6a]C)2(NRhH)	N(C[6a]C[6a]2)(CH3)(CNN)	C[6a](C[6a]C[6a]H)2(NCC){1|C<3>,2|H<1>}	C(NC[6a]C)2(NRhH)	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	121.9928	13.066	116	121.9928	13.066	116
956	643	930	0:SP3_SP2_SP2	N	C[6a]	C	3:4:3:	3:3:3:	3:4:3:	C[6a]-3:S-4:C-3:	C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C[6a](C[6a]C[6a]H)2(NCS)	C(NC[6a]S)(CHHN)(CHH)	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C[6a](C[6a]C[6a]H)2(NCS){1|C<3>,2|H<1>}	C(NC[6a]S)(CHHN)(CHH)	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	119.8040	0.000	1	121.9928	13.066	116	121.9928	13.066	116