956	490	959	0:SP3_SP3_SP3	N	C	S[5]	4:4:4:	3:1:1:1:	3:3:3:1:	S[5]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:N-3:O-1:	N(S[5]C[5,6a]C[5,5]O)(CH3)2	C(NS[5]C)(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NCC)(O)	N(S[5]C[5,6a]C[5,5]O)(CH3)2	C(NS[5]C)(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5])(NCC)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	116.3845	0.582	2	116.3845	0.339	2	116.3845	0.339	2	116.3845	0.339	2	116.3845	0.339	2	116.3845	0.339	2
956	490	969	0:SP2_SP-NON_SP3	N	C	Ga	4:3:3:	3:4:4:1:	3:3:3:	C-4:Ga-3:C-3:	N-3:C-4:C-4:H-1:	N-3:N-3:N-3:	N(CCCH)(GaNN)(CNN)	C(NGaC)(CH3)2(H)	Ga(NCC)3	N(CCCH)(GaNN)(CNN)	C(NGaC)(CH3)2(H)	Ga(NCC)3	135.8785	0.414	2	135.8785	0.171	2	135.8785	0.171	2	135.8785	0.171	2	127.1517	101.599	4	127.1517	101.599	4
956	490	969	0:SP2_SP-NON_SP3	N	C	Ga	4:3:4:	3:4:4:4:	3:1:1:	Si-4:Ga-3:C-4:	N-3:C-4:C-4:C-4:	N-3:Cl-1:Cl-1:	N(SiC[5]CC)(GaCl2)(CC3)	C(NGaSi)(CH3)3	Ga(NSiC)(Cl)2	N(SiC[5]CC)(GaCl2)(CC3)	C(NGaSi)(CH3)3	Ga(NSiC)(Cl)2	118.4250	0.000	2	118.4250	0.000	2	118.4250	0.000	2	118.4250	0.000	2	127.1517	101.599	4	127.1517	101.599	4
956	490	969	0:SP3_SP-NON_SP3	N	C	Ga	3:4:4:	3:1:1:1:	3:3:3:	Ga-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:	N(GaNN)(CH3)2	C(NGaC)(H)3	Ga(NCC)3	N(GaNN)(CH3)2	C(NGaC)(H)3	Ga(NCC)3	122.6700	2.642	2	122.6700	6.979	2	122.6700	6.979	2	122.6700	6.979	2	122.6700	6.979	2	122.6700	6.979	2
956	490	979	0:SP2_SP2_SP3	N	C	Si	3:4:4:	3:4:1:1:	3:4:3:	Si-3:C-4:C-4:	N-3:C-4:H-1:H-1:	Si-3:Si-4:N-3:	N(SiSi2)(CCHH)2	C(NSiC)(CH3)(H)2	Si(SiSiH)(SiC3)(NCC)	N(SiSi2)(CCHH)2	C(NSiC)(CH3)(H)2	Si(SiSiH)(SiC3)(NCC)	122.0845	1.924	2	122.0845	3.702	2	122.0845	3.702	2	122.0845	3.702	2	122.0845	3.702	2	122.0845	3.702	2
956	490	980	0:SP3_SP3_SP3	N	C	N[4]	4:4:1:	3:1:1:1:	4:4:3:1:	N[4]-4:C-4:H-1:	N-3:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	N(N[4]Ga[4]2H)(CH3)(H)	C(NN[4]H)(H)3	N[4](Ga[4]N[4]CC)2(NCH)(H)	N(N[4]Ga[4]2H)(CH3)(H)	C(NN[4]H)(H)3	N[4](Ga[4]N[4]CC)2(NCH)(H){1|H<1>,1|N<3>}	109.1675	1.961	2	109.1675	3.845	2	109.1675	3.845	2	109.1675	3.845	2	109.2188	0.849	12	109.2188	0.849	12
956	490	980	0:SP3_SP3_SP3	N	C	N[4]	4:4:4:	3:1:1:1:	4:4:3:1:	N[4]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	N(N[4]Ga[4]2H)(CH3)2	C(NN[4]C)(H)3	N[4](Ga[4]N[4]CC)2(NCC)(H)	N(N[4]Ga[4]2H)(CH3)2	C(NN[4]C)(H)3	N[4](Ga[4]N[4]CC)2(NCC)(H){1|H<1>,1|N<3>}	108.5570	0.273	2	108.5570	0.074	2	109.2291	0.610	10	109.2291	0.610	10	109.2188	0.849	12	109.2188	0.849	12
956	490	980	0:SP3_SP3_SP3	N	C	N[4]	4:4:4:	3:1:1:1:	4:4:3:1:	N[4]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	N(N[4]Ga[4]2H)(CH3)2	C(NN[4]C)(H)3	N[4](Ga[4]N[4]HH)2(NCC)(H)	N(N[4]Ga[4]2H)(CH3)2	C(NN[4]C)(H)3	N[4](Ga[4]N[4]HH)2(NCC)(H){1|H<1>,1|N<3>}	109.2417	0.613	4	109.2417	0.376	4	109.2291	0.610	10	109.2291	0.610	10	109.2188	0.849	12	109.2188	0.849	12
956	490	980	0:SP3_SP3_SP3	N	C	N[4]	4:4:4:	3:1:1:1:	4:4:3:1:	N[4]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	Ga[4]-4:Ga[4]-4:N-3:H-1:	N(N[4]Ga[4]2H)(CH3)2	C(NN[4]C)(H)3	N[4](Ga[4]N[4]NN)2(NCC)(H)	N(N[4]Ga[4]2H)(CH3)2	C(NN[4]C)(H)3	N[4](Ga[4]N[4]NN)2(NCC)(H){1|H<1>,1|N<3>}	109.5525	0.994	4	109.5525	0.987	4	109.2291	0.610	10	109.2291	0.610	10	109.2188	0.849	12	109.2188	0.849	12
956	490	983	0:SP2_SP1_SP3	N	C	C	2:4:4:	4:3:1:1:	3:3:	C-2:C-4:C-4:	C-4:N-3:H-1:H-1:	C[4a]-3:N-3:	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(C[4a]B[4a,6,6]2)(NCC)	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(C[4a]B[4a,6,6]2)(NCC)	121.3055	0.815	2	121.3055	0.665	2	121.3055	0.665	2	121.3055	0.665	2	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	3:4:2:	3:1:1:1:	3:1:	C[6a]-3:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-1:	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C(NC[6a]C)(N)	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C(NC[6a]C)(N)	118.0330	0.000	1	118.0330	0.000	1	118.0330	0.000	1	118.0330	0.000	1	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	3:4:2:	3:1:1:1:	3:3:	C[6a]-3:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-3:	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C(NC[6a]C)2	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(H)3	C(NC[6a]C)2	124.1527	9.405	4	124.1527	88.457	4	124.1527	88.457	4	124.1527	88.457	4	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	3:4:2:	3:3:1:1:	3:1:	C[6a]-3:C-4:C-2:	C[6a]-3:N-3:H-1:H-1:	N-3:N-1:	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C(NC[6a]C)(N)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(H)2	C(NC[6a]C)(N)	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	116.5360	0.000	1	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	3:4:2:	3:4:1:1:	3:3:	C[6a]-3:C-4:C-2:	N-3:C-4:H-1:H-1:	N-3:N-3:	N(C[6a]C[6a]2)(CCHH)(CN)	C(NC[6a]C)(CCHH)(H)2	C(NC[6a]C)2	N(C[6a]C[6a]2)(CCHH)(CN)	C(NC[6a]C)(CCHH)(H)2	C(NC[6a]C)2	128.7665	2.580	2	128.7665	6.658	2	128.7665	6.658	2	128.7665	6.658	2	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	3:4:2:	4:3:1:1:	3:1:	C[6a]-3:C-4:C-2:	C-4:N-3:H-1:H-1:	N-3:N-1:	N(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]2H)(NC[6a]C)(H)2	C(NC[6a]C)(N)	N(C[6a]C[6a]2)(CCHH)(CN)	C(CC[6a]2H)(NC[6a]C)(H)2	C(NC[6a]C)(N)	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	118.7960	0.000	1	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:2:1:	3:3:1:1:	3:2:	C-4:C-2:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:O-2:	N(CC[6a]HH)(CO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C(NCH)(OEu)	N(CC[6a]HH)(CO)(H)	C(C[6a]C[6a]2)(NCH)(H)2	C(NCH)(OEu)	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:3:2:	3:1:1:1:	3:1:	C-4:C-3:C-2:	N-3:H-1:H-1:H-1:	N-3:H-1:	N(CH3)(CCH)(CH)	C(NCC)(H)3	C(NCC)(H)	N(CH3)(CCH)(CH)	C(NCC)(H)3	C(NCC)(H)	123.3820	0.000	1	123.3820	0.000	1	123.3820	0.000	1	123.3820	0.000	1	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:1:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:H-1:	N(CH3)2(CH)	C(NCC)(H)3	C(NCC)(H)	N(CH3)2(CH)	C(NCC)(H)3	C(NCC)(H)	115.7817	25.197	2	115.7817	634.912	2	115.7817	634.912	2	120.9405	36.580	46	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:1:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:O-1:	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(O)	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(O)	121.1750	4.714	44	121.1750	22.222	44	121.1750	22.222	44	120.9405	36.580	46	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NCu)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NCu)	119.8648	0.694	4	119.8648	0.482	4	120.0001	0.330	11	120.2107	1.173	13	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NW)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NW)	119.3080	0.000	1	119.3080	0.000	1	120.0001	0.330	11	120.2107	1.173	13	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NZn)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NZn)	120.2057	0.457	6	120.2057	0.209	6	120.0001	0.330	11	120.2107	1.173	13	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:O-2:	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OH)	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OH)	121.3690	2.759	2	121.3690	7.613	2	121.3690	7.613	2	120.2107	1.173	13	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	3:4:4:1:	3:1:	C-4:Si-4:C-2:	N-3:C-4:C-4:H-1:	N-3:P-1:	N(CCCH)(SiC3)(CP)	C(NSiC)(CH3)2(H)	C(NSiC)(P)	N(CCCH)(SiC3)(CP)	C(NSiC)(CH3)2(H)	C(NSiC)(P)	117.0040	0.000	1	117.0040	0.000	1	117.0040	0.000	1	117.0040	0.000	1	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	4:3:1:1:	3:1:	C-4:C-4:C-2:	C-4:N-3:H-1:H-1:	N-3:O-1:	N(CCHH)2(CO)	C(CH3)(NCC)(H)2	C(NCC)(O)	N(CCHH)2(CO)	C(CH3)(NCC)(H)2	C(NCC)(O)	119.6785	1.962	2	119.6785	3.850	2	119.6785	3.850	2	119.6785	3.850	2	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	4:3:1:1:	3:2:	C-4:C-4:C-2:	C-4:N-3:H-1:H-1:	N-3:N-2:	N(CCHH)2(CN)	C(CH3)(NCC)(H)2	C(NCC)(NMo)	N(CCHH)2(CN)	C(CH3)(NCC)(H)2	C(NCC)(NMo)	122.1140	0.078	2	122.1140	0.006	2	122.1140	0.006	2	122.1140	0.006	2	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	4:3:1:1:	3:3:	C-4:C-4:C-2:	C-4:N-3:H-1:H-1:	N-3:N-3:	N(CCHH)2(CN)	C(CC3)(NCC)(H)2	C(NCC)2	N(CCHH)2(CN)	C(CC3)(NCC)(H)2	C(NCC)2	116.9745	1.056	2	116.9745	1.115	2	120.6050	18.328	4	120.6050	18.328	4	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	4:3:1:1:	3:3:	C-4:C-4:C-2:	C-4:N-3:H-1:H-1:	N-3:N-3:	N(CCHH)2(CN)	C(CCHH)(NCC)(H)2	C(NCC)2	N(CCHH)2(CN)	C(CCHH)(NCC)(H)2	C(NCC)2	124.2355	1.071	2	124.2355	1.148	2	120.6050	18.328	4	120.6050	18.328	4	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	4:4:3:1:	3:2:	C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	N-3:C-2:	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(NCC)(CC)	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(NCC)(CC)	119.3095	0.535	2	119.3095	0.287	2	119.3095	0.287	2	119.3095	0.287	2	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP2_SP1_SP3	N	C	C	4:4:2:	4:4:3:1:	3:3:	C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	C-3:N-3:	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(CSiB)(NCC)	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(CSiB)(NCC)	120.4630	0.163	2	120.4630	0.026	2	120.4630	0.026	2	120.4630	0.026	2	120.9294	26.726	85	120.9294	26.726	85
956	490	983	0:SP3_SP1_SP3	N	C	C	2:4:4:	4:3:1:1:	3:3:	C-2:C-4:C-4:	C-4:N-3:H-1:H-1:	C[4a]-3:N-3:	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(C[4a]B[4a,6,6]2)(NCC)	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(C[4a]B[4a,6,6]2)(NCC)	121.6395	1.395	2	121.6395	1.946	2	121.4267	1.284	4	121.4267	1.284	4	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	2:4:4:	4:3:1:1:	3:3:	C-2:C-4:C-4:	C-4:N-3:H-1:H-1:	C[4a]-3:N-3:	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(C[4a]B[4a]2)(NCC)	N(CC[4a])(CCHH)2	C(CH3)(NCC)(H)2	C(C[4a]B[4a]2)(NCC)	121.2140	1.314	2	121.2140	1.726	2	121.4267	1.284	4	121.4267	1.284	4	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	2:3:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	C-2:N-3:	N(CH3)2(CC)	C(NCC)(H)3	C(CC[6a])(NCC)	N(CH3)2(CC)	C(NCC)(H)3	C(CC[6a])(NCC)	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:1:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-1:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(N)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(N)	117.1045	1.153	2	117.1045	1.330	2	117.1045	1.330	2	119.7041	17.833	15	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:1:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:O-1:	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(O)	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(O)	120.6062	4.193	12	120.6062	17.583	12	120.6062	17.583	12	119.7041	17.833	15	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:1:	P[6]-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:H-1:	N(P[6]N[6]2N)(CH3)(CH)	C(NP[6]C)(H)3	C(NP[6]C)(H)	N(P[6]N[6]2N)(CH3)(CH)	C(NP[6]C)(H)3	C(NP[6]C)(H)	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	119.7041	17.833	15	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NCu)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NCu)	119.4538	1.299	6	119.4538	1.688	6	119.2499	2.783	26	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NLi)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NLi)	117.7045	1.353	2	117.7045	1.830	2	119.2499	2.783	26	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NNi)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NNi)	116.9475	0.583	2	116.9475	0.340	2	119.2499	2.783	26	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NPt)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NPt)	119.1743	1.553	4	119.1743	2.411	4	119.2499	2.783	26	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NRu)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NRu)	117.5595	0.275	2	117.5595	0.076	2	119.2499	2.783	26	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:N-2:	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NZn)	N(CH3)2(CN)	C(NCC)(H)3	C(NCC)(NZn)	120.2655	1.490	10	120.2655	2.221	10	119.2499	2.783	26	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:O-2:	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OCd)	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OCd)	124.4420	10.635	2	124.4420	113.101	2	122.2162	30.729	6	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:O-2:	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OCu)	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OCu)	120.5125	4.859	2	120.5125	23.605	2	122.2162	30.729	6	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:1:1:1:	3:2:	C-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N-3:O-2:	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OFe)	N(CH3)2(CO)	C(NCC)(H)3	C(NCC)(OFe)	121.6940	0.823	2	121.6940	0.677	2	122.2162	30.729	6	119.8061	8.584	32	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:3:1:1:	3:1:	C-4:C-4:C-2:	C[6a]-3:N-3:H-1:H-1:	N-3:N-1:	N(CC[6a]HH)2(CN)	C(C[6a]C[6a]2)(NCC)(H)2	C(NCC)(N)	N(CC[6a]HH)2(CN)	C(C[6a]C[6a]2)(NCC)(H)2	C(NCC)(N)	117.0482	0.956	4	117.0482	0.914	4	117.0482	0.914	4	117.0482	0.914	4	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:3:1:1:	3:2:	C-4:S-4:C-2:	C[6a]-3:N-3:H-1:H-1:	N-3:C-2:	N(CC[6a]HH)(SC[6a]OO)(CC)	C(C[6a]C[6a]2)(NCS)(H)2	C(NCS)(CC)	N(CC[6a]HH)(SC[6a]OO)(CC)	C(C[6a]C[6a]2)(NCS)(H)2	C(NCS)(CC)	118.5190	1.704	2	118.5190	2.904	2	118.5190	2.904	2	117.6890	3.519	3	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	3:3:1:1:	3:2:	P[6]-4:C-4:C-2:	C[6a]-3:N-3:H-1:H-1:	N-3:C-2:	N(P[6]O[6]2O)(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(NP[6]C)(H)2	C(NP[6]C)(CC[6a])	N(P[6]O[6]2O)(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(NP[6]C)(H)2	C(NP[6]C)(CC[6a])	116.0290	0.000	1	116.0290	0.000	1	116.0290	0.000	1	117.6890	3.519	3	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	4:3:1:1:	3:2:	C-4:C-4:C-2:	C-4:N-3:H-1:H-1:	N-3:N-2:	N(CCHH)2(CN)	C(CH3)(NCC)(H)2	C(NCC)(NPt)	N(CCHH)2(CN)	C(CH3)(NCC)(H)2	C(NCC)(NPt)	120.9260	3.674	2	120.9260	13.499	2	120.9260	13.499	2	120.9260	13.499	2	119.6204	9.683	63	119.6204	9.683	63
956	490	983	0:SP3_SP1_SP3	N	C	C	4:4:2:	4:4:3:1:	3:2:	C-4:C-4:C-2:	C-4:C-4:N-3:H-1:	N-3:C-2:	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(NCC)(CC)	N(CCCH)2(CC)	C(CH3)2(NCC)(H)	C(NCC)(CC)	118.7760	0.344	2	118.7760	0.118	2	118.7760	0.118	2	118.7760	0.118	2	119.6204	9.683	63	119.6204	9.683	63
956	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:	3:4:4:4:	3:4:1:1:	Ga-4:Si-4:C-4:	N-3:C-4:C-4:C-4:	N-3:P-4:Cl-1:Cl-1:	N(GaCl2P)(SiCCN)(CC3)	C(NGaSi)(CH3)3	Ga(NSiC)(PC3)(Cl)2	N(GaCl2P)(SiCCN)(CC3)	C(NGaSi)(CH3)3	Ga(NSiC)(PC3)(Cl)2	122.7120	0.000	1	122.7120	0.000	1	122.7120	0.000	1	122.7120	0.000	1	115.1870	42.469	3	115.1870	42.469	3
956	490	984	0:SP3_SP-NON_SP3	N	C	Ga	4:4:4:	4:3:1:1:	4:3:3:3:	S-4:C-4:Ga-4:	C-4:N-3:H-1:H-1:	N-4:N-3:N-3:N-3:	N(SC[6a]OO)(CCHH)(GaN3)	C(CHHN)(NGaS)(H)2	Ga(NH3)(NCS)3	N(SC[6a]OO)(CCHH)(GaN3)	C(CHHN)(NGaS)(H)2	Ga(NH3)(NCS)3	111.4245	0.008	2	111.4245	0.000	2	111.4245	0.000	2	111.4245	0.000	2	115.1870	42.469	3	115.1870	42.469	3
956	490	989	0:SP2_SP2_SP3	N	C	Si[5,5]	3:4:4:	3:4:1:1:	4:3:3:	Si[5,5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,5,6]-4:P[5,5,6]-3:N-3:	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	C(NSi[5,5]C)(CHHN)(H)2	Si[5,5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(NCC)	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	C(NSi[5,5]C)(CHHN)(H)2	Si[5,5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(NCC){2|C<4>}	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	115.9620	0.000	1	123.6480	118.149	2	123.0717	74.718	4
956	490	989	0:SP2_SP2_SP3	N	C	Si[5,5]	3:4:4:	3:4:4:4:	4:3:3:	Si[5,5]-3:C-4:C-4:	N-3:C-4:C-4:C-4:	C[5,5,6]-4:P[5,5,6]-3:N-3:	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	C(NSi[5,5]C)(CH3)3	Si[5,5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(NCC)	N(Si[5,5]C[5,5,6]P[5,5,6])(CCHH)(CC3)	C(NSi[5,5]C)(CH3)3	Si[5,5](C[5,5,6]P[5,6]2C)(P[5,5,6]C[5,6]2)(NCC){2|C<4>}	131.3340	0.000	1	131.3340	0.000	1	131.3340	0.000	1	131.3340	0.000	1	123.6480	118.149	2	123.0717	74.718	4
956	490	989	0:SP2_SP2_SP3	N	C	Si[5]	3:4:4:	3:4:1:1:	3:3:3:	Si[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(Si[5]N[5]2)(CCHH)(CC3)	C(NSi[5]C)(CHHN)(H)2	Si[5](N[5]C[5]C)2(NCC)	N(Si[5]N[5]2)(CCHH)(CC3)	C(NSi[5]C)(CHHN)(H)2	Si[5](N[5]C[5]C)2(NCC){4|H<1>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	122.4955	104.676	2	123.0717	74.718	4
956	490	989	0:SP2_SP2_SP3	N	C	Si[5]	3:4:4:	3:4:4:4:	3:3:3:	Si[5]-3:C-4:C-4:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N(Si[5]N[5]2)(CCHH)(CC3)	C(NSi[5]C)(CH3)3	Si[5](N[5]C[5]C)2(NCC)	N(Si[5]N[5]2)(CCHH)(CC3)	C(NSi[5]C)(CH3)3	Si[5](N[5]C[5]C)2(NCC){4|H<1>}	129.7300	0.000	1	129.7300	0.000	1	129.7300	0.000	1	129.7300	0.000	1	122.4955	104.676	2	123.0717	74.718	4
956	490	992	0:SP2_SP3_SP3	N	C	P	3:4:4:	3:1:1:1:	3:3:3:1:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(C[6a]C[6a]2)(PNNO)(CH3)	C(NC[6a]P)(H)3	P(NC[6a]C)2(NCH)(O)	N(C[6a]C[6a]2)(PNNO)(CH3)	C(NC[6a]P)(H)3	P(NC[6a]C)2(NCH)(O)	123.0383	0.666	4	123.0383	0.443	4	123.0383	0.443	4	123.0383	0.443	4	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	3:4:4:	3:1:1:1:	3:3:3:3:	B[6,6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	C(NB[6,6]P)(H)3	P(C[6a]C[6a]2)3(NB[6,6]C)	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	C(NB[6,6]P)(H)3	P(C[6a]C[6a]2)3(NB[6,6]C)	118.6720	0.000	1	118.6720	0.000	1	118.6720	0.000	1	121.5283	6.123	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	3:4:4:	3:1:1:1:	3:3:3:3:	C[6a]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	C(NC[6a]P)(H)3	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	N(C[6a]C[6a]2)(PC[6a]2C)(CH3)	C(NC[6a]P)(H)3	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	122.9565	0.087	2	122.9565	0.008	2	122.9565	0.008	2	121.5283	6.123	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	3:4:4:	3:1:1:1:	4:4:4:3:	B-3:C-4:P-4:	N-3:H-1:H-1:H-1:	C-4:C-4:C-4:N-3:	N(BC[6a]2)(CH3)(PC3)	C(NBP)(H)3	P(CCHH)3(NBC)	N(BC[6a]2)(CH3)(PC3)	C(NBP)(H)3	P(CCHH)3(NBC)	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	111.5520	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	3:4:4:	3:3:1:1:	3:3:3:1:	C[6a]-3:P-4:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	C(NC[6a]P)(CCC)(H)2	P(C[6a]C[6a]2)2(NC[6a]C)(O)	N(C[6a]C[6a]2)(PC[6a]2O)(CCHH)	C(NC[6a]P)(CCC)(H)2	P(C[6a]C[6a]2)2(NC[6a]C)(O)	117.6420	0.000	1	117.6420	0.000	1	117.6420	0.000	1	117.6420	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:3:4:	3:1:1:1:	3:3:3:1:	P-4:N-3:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(NCoC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(NCoC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	122.8865	1.012	2	122.8865	1.024	2	122.8505	0.417	4	122.8505	0.417	4	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:3:4:	3:1:1:1:	3:3:3:1:	P-4:N-3:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(NZnC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(NZnC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	122.8145	0.472	2	122.8145	0.222	2	122.8505	0.417	4	122.8505	0.417	4	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:3:4:	3:1:1:1:	3:3:3:3:	P-4:N-3:C-4:	N-3:H-1:H-1:H-1:	S-3:N-3:N-3:N-3:	N(PNNS)(NAgC)(CH3)	C(NNP)(H)3	P(SAg2)(NCN)3	N(PNNS)(NAgC)(CH3)	C(NNP)(H)3	P(SAg2)(NCN)3	122.9575	3.252	2	122.9575	10.575	2	122.9575	10.575	2	122.9575	10.575	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:3:4:	4:4:3:1:	3:3:3:1:	P-4:P-3:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	N(PC[6a]2H)(PC[6a]2)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(H)	N(PC[6a]2H)(PC[6a]2)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(H)	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:1:1:1:	3:4:3:2:	P-4:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6a]-3:B-4:N-3:O-2:	N(PC[6a]BO)(CH3)(H)	C(NHP)(H)3	P(C[6a]C[6a]2)(BH3)(NCH)(OC)	N(PC[6a]BO)(CH3)(H)	C(NHP)(H)3	P(C[6a]C[6a]2)(BH3)(NCH)(OC)	123.5550	0.000	1	123.5550	0.000	1	123.5550	0.000	1	123.5550	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	2:2:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CC[6a]HH)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(OC[6a])2(NCH)(O)	N(CC[6a]HH)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(OC[6a])2(NCH)(O)	125.7950	0.270	2	125.7950	0.073	2	125.7950	0.073	2	125.7950	0.073	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]HH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]HH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(C[6a]C[6a]2)2(NCH)(O)	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	122.4609	2.387	9	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(O)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(O)	122.9347	0.934	7	122.9347	0.873	7	122.9347	0.873	7	122.4609	2.387	9	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:S-1:	N(CC[6a]HH)(PNNS)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(S)	N(CC[6a]HH)(PNNS)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(S)	122.6450	0.000	1	122.6450	0.000	1	122.6450	0.000	1	122.4609	2.387	9	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:3:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CC[6a]HH)(PN3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)4	N(CC[6a]HH)(PN3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)4	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:3:3:1:	3:3:3:1:	P-4:C-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:Se-1:	N(PC[6a]2Se)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	N(PC[6a]2Se)(CC[6a]2H)(H)	C(C[6a]C[6a]2)2(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	124.1040	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:3:3:3:	3:3:3:1:	P-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:Se-1:	N(PC[6a]2Se)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NHP)	P(C[6a]C[6a]2)2(NCH)(Se)	N(PC[6a]2Se)(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NHP)	P(C[6a]C[6a]2)2(NCH)(Se)	129.3860	0.000	1	129.3860	0.000	1	129.3860	0.000	1	129.3860	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	2:2:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	O-2:O-2:N-3:O-1:	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(OC[6a])2(NCH)(O)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(OC[6a])2(NCH)(O)	126.1863	0.285	4	126.1863	0.081	4	126.1863	0.081	4	126.1863	0.081	4	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	2:2:3:3:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	N-2:N-2:N-3:N-3:	N(CC[6a]CH)(PN3)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	P(NC[5])2(NCH)2	N(CC[6a]CH)(PN3)(H)	C(C[6a]C[6a]2)(CC[6]N[5]H)(NHP)(H)	P(NC[5])2(NCH)2	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	113.7060	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:2:2:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	N-3:O-2:O-2:O-1:	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	P(NCH)(OC)2(O)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCCN)(NHP)(H)	P(NCH)(OC)2(O)	124.8240	0.000	1	124.8240	0.000	1	124.8240	0.000	1	124.8240	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	122.0760	0.000	1	122.0760	0.000	1	121.3085	1.178	2	123.3960	2.900	8	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	120.5410	0.000	1	120.5410	0.000	1	121.3085	1.178	2	123.3960	2.900	8	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	P(NCH)3(O)	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	P(NCH)3(O)	123.2505	0.713	2	123.2505	0.509	2	123.6394	0.339	5	123.3960	2.900	8	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(NCH)3(O)	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(NCH)3(O)	123.8987	0.415	3	123.8987	0.172	3	123.6394	0.339	5	123.3960	2.900	8	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]SiH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]SiH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(SiC[6a]CC)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	126.3540	0.000	1	126.3540	0.000	1	126.3540	0.000	1	123.3960	2.900	8	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:4:3:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	125.7990	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:4:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:O-1:	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)(CC3)(NCH)(O)	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)(CC3)(NCH)(O)	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	4:3:2:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:S-2:O-1:	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(CCHH)(NCH)(SC)(O)	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(CCHH)(NCH)(SC)(O)	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	122.7730	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	3:4:3:3:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHH)(COO)(NHP)	P(C[6a]C[6a]2)2(NCH)(O)	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	126.0230	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	2:4:3:1:	C-4:P-4:H-1:	C-4:N-3:H-1:H-1:	O-2:C-4:N-3:O-1:	N(CCHH)(PCOO)(H)	C(CHHO)(NHP)(H)2	P(OC[6a])(CHHO)(NCH)(O)	N(CCHH)(PCOO)(H)	C(CHHO)(NHP)(H)2	P(OC[6a])(CHHO)(NCH)(O)	127.4030	0.000	1	127.4030	0.000	1	127.4030	0.000	1	127.4030	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:2:2:1:	C-4:P-4:H-1:	C-4:N-3:H-1:H-1:	N-3:O-2:O-2:S-1:	N(CCHH)(POOS)(H)	C(CHHO)(NHP)(H)2	P(NCH)(OC)2(S)	N(CCHH)(POOS)(H)	C(CHHO)(NHP)(H)2	P(NCH)(OC)2(S)	123.0730	0.000	1	123.0730	0.000	1	123.0730	0.000	1	123.0730	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:3:2:2:	P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:N-3:N-2:N-2:	N(PN[6]NN)(CCHH)(H)	C(CCHH)(NHP)(H)2	P(N[6]C[6]2)(NCH)(NP)2	N(PN[6]NN)(CCHH)(H)	C(CCHH)(NHP)(H)2	P(N[6]C[6]2)(NCH)(NP)2	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	123.6210	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:3:3:1:	P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:Se-1:	N(PC[6a]2Se)(CCHH)(H)	C(CHHN)(NHP)(H)2	P(C[6a]C[6a]2)2(NCH)(Se)	N(PC[6a]2Se)(CCHH)(H)	C(CHHN)(NHP)(H)2	P(C[6a]C[6a]2)2(NCH)(Se)	119.2355	2.063	2	119.2355	4.254	2	119.2355	4.254	2	119.2355	4.254	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:3:4:3:	P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(CCHH)(H)	C(CHHN)(NHP)(H)2	P(C[6a]C[6a]2)2(BH3)(NCH)	N(PC[6a]2B)(CCHH)(H)	C(CHHN)(NHP)(H)2	P(C[6a]C[6a]2)2(BH3)(NCH)	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:3:1:	2:2:3:1:	C-4:P-4:H-1:	C-4:C-3:N-3:H-1:	O-2:O-2:N-3:O-1:	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	P(OC[6a])(OC[5])(NCH)(O)	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	P(OC[6a])(OC[5])(NCH)(O)	125.6480	0.000	1	125.6480	0.000	1	123.8698	1.688	9	123.8698	1.688	9	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:3:1:	2:2:3:1:	C-4:P-4:H-1:	C-4:C-3:N-3:H-1:	O-2:O-2:N-3:O-1:	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	P(OC[6a])2(NCH)(O)	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	P(OC[6a])2(NCH)(O)	123.6475	1.192	8	123.6475	1.421	8	123.8698	1.688	9	123.8698	1.688	9	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:3:1:	2:2:3:3:	C-4:P-4:H-1:	C-4:C[6a]-3:N-3:H-1:	N-2:N-2:N-3:N-3:	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	P(NC[5])2(NCH)2	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	P(NC[5])2(NCH)2	115.8650	1.407	2	115.8650	1.980	2	115.8650	1.980	2	115.8650	1.980	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:3:3:3:	3:3:3:2:	C-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:N-2:	N(CC[6a]2C[5])(PN3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	P(NCH)3(NC)	N(CC[6a]2C[5])(PN3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	P(NCH)3(NC)	129.9605	0.721	2	129.9605	0.519	2	129.9605	0.519	2	129.9605	0.519	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:1:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CCCH)(H)	C(CSiCC)(CCHH)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(PC[6a]2O)(CCCH)(H)	C(CSiCC)(CCHH)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	125.6730	0.000	1	125.6730	0.000	1	125.6730	0.000	1	125.1160	0.620	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:1:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:N-3:S-1:	N(PC[6a]NS)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)(NCH)(NCP)(S)	N(PC[6a]NS)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)(NCH)(NCP)(S)	124.5590	0.000	1	124.5590	0.000	1	124.5590	0.000	1	125.1160	0.620	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:2:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-2:	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(OZn)	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(OZn)	125.1900	0.000	1	125.1900	0.000	1	125.1900	0.000	1	125.1900	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:3:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:N-3:	N(PC[6a]2N)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(NCH)2	N(PC[6a]2N)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(NCH)2	122.6041	1.513	16	122.6041	2.289	16	122.6041	2.289	16	122.6041	2.289	16	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	4:3:2:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:N-2:O-1:	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)(NC)(O)	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)(NC)(O)	125.2840	0.000	1	125.2840	0.000	1	125.2840	0.000	1	125.2840	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	4:3:3:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:N-3:O-1:	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)2(O)	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)2(O)	124.3897	1.724	7	124.3897	2.974	7	124.3897	2.974	7	124.3897	2.974	7	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	4:4:3:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	C-4:C-4:N-3:O-1:	N(CCCH)(PCCO)(H)	C(CH3)2(NHP)(H)	P(CCCH)2(NCH)(O)	N(CCCH)(PCCO)(H)	C(CH3)2(NHP)(H)	P(CCCH)2(NCH)(O)	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	124.3280	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:1:1:1:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:Cl-1:Cl-1:O-1:	N(PCl2O)(CC3)(H)	C(CH3)3(NHP)	P(NCH)(Cl)2(O)	N(PCl2O)(CC3)(H)	C(CH3)3(NHP)	P(NCH)(Cl)2(O)	127.3170	0.000	1	127.3170	0.000	1	127.3170	0.000	1	127.3170	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:2:2:2:	C-4:P-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-2:N-2:N-2:	N(CC3)(PN3)(H)	C(CH3)3(NHP)	P(NCH)(NC)3	N(CC3)(PN3)(H)	C(CH3)3(NHP)	P(NCH)(NC)3	131.1760	0.000	1	131.1760	0.000	1	131.1760	0.000	1	131.1760	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:2:3:1:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:O-2:N-3:O-1:	N(PC[6a]OO)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	N(PC[6a]OO)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)(OC[6])(NCH)(O)	128.9930	0.000	1	128.9930	0.000	1	128.9930	0.000	1	128.9930	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:2:1:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:O-2:O-1:	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OP)(O)	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OP)(O)	132.5760	1.534	2	132.5760	2.354	2	132.5760	2.354	2	132.7443	1.262	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:2:1:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:O-2:S-1:	N(PNOS)(CC3)(H)	C(CH3)3(NHP)	P(NSi2)(NCH)(OC)(S)	N(PNOS)(CC3)(H)	C(CH3)3(NHP)	P(NSi2)(NCH)(OC)(S)	133.0810	0.000	1	133.0810	0.000	1	133.0810	0.000	1	132.7443	1.262	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:2:2:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:O-2:O-2:	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OMn)(OP)	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OMn)(OP)	127.0480	0.000	1	127.0480	0.000	1	127.0480	0.000	1	127.0480	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:2:3:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N[6]-3:N[6]-3:N-2:N-3:	N(PN[6]2N)(CC3)(H)	C(CH3)3(NHP)	P(N[6]C[6]2)2(NC[3])(NCH)	N(PN[6]2N)(CC3)(H)	C(CH3)3(NHP)	P(N[6]C[6]2)2(NC[3])(NCH)	129.3560	0.000	1	129.3560	0.000	1	129.3560	0.000	1	129.3560	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:3:1:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:N-3:O-1:	N(PNNO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)3(O)	N(PNNO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)3(O)	127.3080	0.613	4	127.3080	0.376	4	127.3080	0.376	4	127.3080	0.376	4	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:3:2:	C-4:P-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:N-3:N-2:	N(CC3)(PN3)(H)	C(CH3)3(NHP)	P(NCH)3(NSi)	N(CC3)(PN3)(H)	C(CH3)3(NHP)	P(NCH)3(NSi)	127.1910	0.000	1	127.1910	0.000	1	127.1910	0.000	1	127.1910	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:3:3:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(PC[6a]3)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)3(NCH)	N(PC[6a]3)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)3(NCH)	130.9860	0.000	1	130.9860	0.000	1	130.9860	0.000	1	131.3650	0.287	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:3:3:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N[5]-3:N[5]-3:N[5]-3:N-3:	N(PN[5]3)(CC3)(H)	C(CH3)3(NHP)	P(N[5]C[5]2)3(NCH)	N(PN[5]3)(CC3)(H)	C(CH3)3(NHP)	P(N[5]C[5]2)3(NCH)	131.7440	0.000	1	131.7440	0.000	1	131.7440	0.000	1	131.3650	0.287	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:2:	3:1:1:1:	2:2:3:1:	C-4:P-4:N-2:	N-3:H-1:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CH3)(PO3)(NC)	C(NNP)(H)3	P(OC[6a])2(NCN)(O)	N(CH3)(PO3)(NC)	C(NNP)(H)3	P(OC[6a])2(NCN)(O)	123.0380	0.000	1	123.0380	0.000	1	123.0380	0.000	1	123.0380	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:2:	3:1:1:1:	3:2:2:1:	P-4:C-4:N-2:	N-3:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	N(POOS)(CH3)(NC)	C(NNP)(H)3	P(NCN)(OC)2(S)	N(POOS)(CH3)(NC)	C(NNP)(H)3	P(NCN)(OC)2(S)	124.9920	0.000	1	124.9920	0.000	1	124.9920	0.000	1	124.9920	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:2:	3:1:1:1:	3:3:3:1:	P-4:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N-3:N-3:O-1:	N(PC[6a]NO)(CH3)(NC)	C(NNP)(H)3	P(C[6a]C[6a]2)(NCN)2(O)	N(PC[6a]NO)(CH3)(NC)	C(NNP)(H)3	P(C[6a]C[6a]2)(NCN)2(O)	123.1310	0.000	1	123.1310	0.000	1	123.1310	0.000	1	122.0228	4.313	6	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:2:	3:1:1:1:	3:3:3:1:	P-4:C-4:N-2:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(CH3)(NC)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(CH3)(NC)	C(NNP)(H)3	P(NCN)3(S)	121.8012	2.241	5	121.8012	5.023	5	121.8012	5.023	5	122.0228	4.313	6	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:2:	3:1:1:1:	3:3:3:3:	P-4:C-4:N-2:	N-3:H-1:H-1:H-1:	S-3:N-3:N-3:N-3:	N(PNNS)(CH3)(NC)	C(NNP)(H)3	P(SAg2)(NCN)3	N(PNNS)(CH3)(NC)	C(NNP)(H)3	P(SAg2)(NCN)3	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:2:	3:3:1:1:	2:4:4:3:	C-4:P-4:N-2:	N-3:N-3:H-1:H-1:	N-2:C-4:C-4:N-3:	N(CHHN)(PCCN)(NC)	C(NCC)(NNP)(H)2	P(NC[6a])(CC3)2(NCN)	N(CHHN)(PCCN)(NC)	C(NCC)(NNP)(H)2	P(NC[6a])(CC3)2(NCN)	119.7200	0.000	1	119.7200	0.000	1	119.6810	0.003	2	119.6810	0.003	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:2:	3:3:1:1:	2:4:4:3:	C-4:P-4:N-2:	N-3:N-3:H-1:H-1:	N-2:C-4:C-4:N-3:	N(CHHN)(PCCN)(NN)	C(NCC)(NNP)(H)2	P(NC[6a])(CC3)2(NCN)	N(CHHN)(PCCN)(NN)	C(NCC)(NNP)(H)2	P(NC[6a])(CC3)2(NCN)	119.6420	0.000	1	119.6420	0.000	1	119.6810	0.003	2	119.6810	0.003	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:3:	3:1:1:1:	3:3:3:1:	P-4:C-4:N-3:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)(NHH)	C(NNP)(H)3	P(NCN)3(O)	N(PNNO)(CH3)(NHH)	C(NNP)(H)3	P(NCN)3(O)	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:3:	3:4:3:1:	3:3:3:1:	C-4:P-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)(PC[6a]2O)(COO)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	N(CC[6a]CH)(PC[6a]2O)(COO)	C(C[6a]C[6a]2)(CCCH)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	118.1480	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:3:	3:4:3:1:	4:3:2:1:	C-4:P-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:O-2:O-1:	N(CC[6a]CH)(PCOO)(COO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	P(CHHO)(NCC)(OC)(O)	N(CC[6a]CH)(PCOO)(COO)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	P(CHHO)(NCC)(OC)(O)	119.8010	0.000	1	119.8010	0.000	1	119.8010	0.000	1	119.8010	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:2:2:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-2:O-2:O-2:N-3:	N(PNOO)(CH3)2	C(NCP)(H)3	P(NC[6a])(OC[6a])2(NCC)	N(PNOO)(CH3)2	C(NCP)(H)3	P(NC[6a])(OC[6a])2(NCC)	121.6755	0.893	2	121.6755	0.798	2	121.6755	0.798	2	121.6755	0.798	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:2:3:1:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CH3)2(PO3)	C(NCP)(H)3	P(OC[6a])2(NCC)(O)	N(CH3)2(PO3)	C(NCP)(H)3	P(OC[6a])2(NCC)(O)	121.8385	0.220	2	121.8385	0.048	2	121.8385	0.048	2	121.8385	0.048	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:N-3:N-3:O-1:	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)2(O)	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)2(O)	122.0670	0.342	2	122.0670	0.117	2	122.0670	0.117	2	122.0670	0.117	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:2:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-2:N-3:N-3:N-2:	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)2(NP)	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)2(NP)	121.4625	4.902	2	121.4625	24.033	2	121.4625	24.033	2	121.4625	24.033	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:3:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-2:N-3:N-3:N-3:	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)3	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)3	122.4404	1.734	10	122.4404	3.007	10	122.4404	3.007	10	122.4404	3.007	10	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-2:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NC)(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NC)(O)	120.7420	0.000	1	120.7420	0.000	1	120.7420	0.000	1	120.7420	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-1:	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(N)	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(N)	121.8770	0.000	1	121.8770	0.000	1	121.8770	0.000	1	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:S-1:	N(CC[6a]CH)(PC[6a]2S)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)2(NCC)(S)	N(CC[6a]CH)(PC[6a]2S)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)2(NCC)(S)	119.8350	0.000	1	119.8350	0.000	1	119.8350	0.000	1	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)(PHNN)(CH3)	C(NCP)(H)3	P(NCC)3(H)	N(CCHH)(PHNN)(CH3)	C(NCP)(H)3	P(NCC)3(H)	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NCH)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NCH)(O)	118.7915	3.138	8	118.7915	9.850	8	119.6471	15.208	9	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NHS)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NHS)(O)	126.4920	0.000	1	126.4920	0.000	1	119.6471	15.208	9	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)(NC[6]H)2(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)(NC[6]H)2(O)	121.0810	0.000	1	121.0810	0.000	1	120.5376	9.602	8	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NCH)(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NCH)(O)	120.8724	3.946	5	120.8724	15.574	5	120.5376	9.602	8	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6a]H)(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6a]H)(NC[6]C)(NC[6]H)(O)	119.4290	1.267	2	119.4290	1.606	2	120.5376	9.602	8	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:I-1:	N(PINN)(CH3)2	C(NCP)(H)3	P(NCC)3(I)	N(PINN)(CH3)2	C(NCP)(H)3	P(NCC)3(I)	122.0895	2.494	8	122.0895	6.220	8	122.0895	6.220	8	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)2(NCH)(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)2(NCH)(O)	123.0165	5.670	2	123.0165	32.152	2	122.2593	8.404	48	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(O)	122.2970	2.888	38	122.2970	8.342	38	122.2593	8.404	48	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[5]H)2(NCC)(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[5]H)2(NCC)(O)	120.9325	4.419	2	120.9325	19.525	2	122.2593	8.404	48	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[6]H)2(NCC)(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[6]H)2(NCC)(O)	121.7570	3.711	2	121.7570	13.771	2	122.2593	8.404	48	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[6a]H)2(NCC)(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[6a]H)2(NCC)(O)	122.4370	2.275	4	122.4370	5.176	4	122.2593	8.404	48	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N-3:N-3:O-1:	N(PN[5]NO)(CH3)2	C(NCP)(H)3	P(N[5]C[5,6a]C[5,6])(NCC)2(O)	N(PN[5]NO)(CH3)2	C(NCP)(H)3	P(N[5]C[5,6a]C[5,6])(NCC)2(O)	122.4800	3.007	6	122.4800	9.042	6	122.4800	9.042	6	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N-3:N-3:O-1:	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	121.3035	3.283	2	121.3035	10.779	2	121.3035	10.779	2	121.7540	9.104	84	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NN)	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NN)	120.1519	0.849	9	120.1519	0.721	9	121.1512	3.731	17	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(NP)	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(NP)	122.2754	2.231	8	122.2754	4.976	8	121.1512	3.731	17	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(CCHH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)3(OC)	N(CCHH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)3(OC)	125.6060	0.000	1	125.6060	0.000	1	125.6060	0.000	1	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:C-2:	N(PCNN)(CH3)2	C(NCP)(H)3	P(NCC)3(CN)	N(PCNN)(CH3)2	C(NCP)(H)3	P(NCC)3(CN)	122.4988	2.446	8	122.4988	5.984	8	122.4988	5.984	8	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OAl)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OAl)	121.6430	2.516	4	121.6430	6.331	4	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OC)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OC)	122.3138	3.924	6	122.3138	15.395	6	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCo)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCo)	122.8315	2.564	10	122.8315	6.574	10	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCu)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCu)	121.9613	2.862	4	121.9613	8.191	4	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OLi)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OLi)	122.6440	2.976	12	122.6440	8.858	12	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMg)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMg)	122.3852	2.572	20	122.3852	6.616	20	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMn)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMn)	122.4218	2.528	4	122.4218	6.392	4	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OSm)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OSm)	121.7174	2.913	12	121.7174	8.487	12	122.3103	7.410	72	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:P-2:	N(PNNP)(CH3)2	C(NCP)(H)3	P(NCC)3(PP)	N(PNNP)(CH3)2	C(NCP)(H)3	P(NCC)3(PP)	121.8783	3.177	4	121.8783	10.095	4	121.8783	10.095	4	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-2:	N(PNNS)(CH3)2	C(NCP)(H)3	P(NCC)3(SS)	N(PNNS)(CH3)2	C(NCP)(H)3	P(NCC)3(SS)	122.3531	1.569	8	122.3531	2.460	8	122.3531	2.460	8	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N-3:N-3:O-2:	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	122.0408	2.699	16	122.0408	7.283	16	122.0408	7.283	16	122.1468	6.536	126	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:3:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NHH)	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NHH)	120.8300	0.000	1	120.8300	0.000	1	120.8300	0.000	1	119.5554	0.731	5	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:3:	C[6]-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-3:	N(C[6]C[6]2H)(CH3)(PN3)	C(NC[6]P)(H)3	P(NC[6]C)4	N(C[6]C[6]2H)(CH3)(PN3)	C(NC[6]P)(H)3	P(NC[6]C)4	119.2368	0.546	4	119.2368	0.298	4	119.2368	0.298	4	119.5554	0.731	5	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:4:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(CCCH)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)2(BH3)(NCC)	N(PC[6a]2B)(CCCH)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)2(BH3)(NCC)	120.3670	0.505	2	120.3670	0.255	2	120.3670	0.255	2	120.3670	0.255	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:4:4:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:B-4:C-4:N-3:	N(PC[6a]BC)(CH3)2	C(NCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(NCC)	N(PC[6a]BC)(CH3)2	C(NCP)(H)3	P(C[6a]C[6a]2)(BH3)(CC3)(NCC)	122.2170	1.191	2	122.2170	1.418	2	122.2170	1.418	2	122.2170	1.418	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	4:3:3:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	B-4:N-3:N-3:N-3:	N(PBNN)(CH3)2	C(NCP)(H)3	P(BH3)(NCC)3	N(PBNN)(CH3)2	C(NCP)(H)3	P(BH3)(NCC)3	122.9560	0.550	2	122.9560	0.303	2	122.9560	0.303	2	122.9560	0.303	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	4:3:4:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[6a]-3:B-4:N-3:	N(PC[6a]C[5]B)(CCCH)(CH3)	C(NCP)(H)3	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	N(PC[6a]C[5]B)(CCCH)(CH3)	C(NCP)(H)3	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	4:4:3:2:	P-4:P-4:C-4:	N-3:H-1:H-1:H-1:	C-4:C-4:N-3:N-2:	N(PCoCC)(PCCN)(CH3)	C(NPP)(H)3	P(CCCH)2(NCP)(NCo)	N(PCoCC)(PCCN)(CH3)	C(NPP)(H)3	P(CCCH)2(NCP)(NCo)	118.5190	0.000	2	118.5190	0.000	2	118.5190	0.000	2	118.5190	0.000	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	4:4:3:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C-4:N-3:N-3:	N(PC[5]CN)(CH3)2	C(NCP)(H)3	P(C[5]C[5]2Li)(CLiHH)(NCC)2	N(PC[5]CN)(CH3)2	C(NCP)(H)3	P(C[5]C[5]2Li)(CLiHH)(NCC)2	122.5955	3.316	6	122.5955	10.998	6	122.5955	10.998	6	122.5955	10.998	6	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	2:2:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CC[6a]HH)2(PO3)	C(C[6a]C[6a]2)(NCP)(H)2	P(OC[6a])2(NCC)(O)	N(CC[6a]HH)2(PO3)	C(C[6a]C[6a]2)(NCP)(H)2	P(OC[6a])2(NCC)(O)	121.9900	1.266	2	121.9900	1.602	2	121.9900	1.602	2	121.9900	1.602	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:O-1:O-1:	N(CC[6a]HH)(CCCH)(PNOO)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)(NCH)(O)2	N(CC[6a]HH)(CCCH)(PNOO)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)(NCH)(O)2	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:2:2:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-2:N-2:	N(CC[6a]HH)(CCHH)(PN3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NP)2	N(CC[6a]HH)(CCHH)(PN3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NP)2	124.9560	0.000	1	124.9560	0.000	1	124.9560	0.000	1	124.9560	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)3(H)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)3(H)	121.3530	1.830	2	121.3530	3.349	2	121.9153	2.623	3	122.6857	9.616	22	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	P(NCC)3(H)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	P(NCC)3(H)	123.0400	0.000	1	123.0400	0.000	1	121.9153	2.623	3	122.6857	9.616	22	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)2(PNNO)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	N(CC[6a]HH)2(PNNO)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	121.9255	3.292	10	121.9255	10.835	10	121.9255	10.835	10	122.6857	9.616	22	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:P-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	124.5415	2.383	8	124.5415	5.677	8	123.7872	10.088	9	122.6857	9.616	22	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:P-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NHS)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NHS)(O)	117.7530	0.000	1	117.7530	0.000	1	123.7872	10.088	9	122.6857	9.616	22	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:2:3:	P-4:P-4:C-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:Se-2:N-3:	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(SePd)(NCP)	N(PC[6a]2Pd)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(SePd)(NCP)	127.1890	0.000	1	127.1890	0.000	1	126.2375	1.811	2	126.2375	1.811	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:2:3:	P-4:P-4:C-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:Se-2:N-3:	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(SePt)(NCP)	N(PC[6a]2Pt)(PC[6a]2Se)(CC[6a]CH)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(SePt)(NCP)	125.2860	0.000	1	125.2860	0.000	1	126.2375	1.811	2	126.2375	1.811	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	126.1910	0.000	1	126.1910	0.000	1	122.4665	27.744	2	121.9997	14.526	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	118.7420	0.000	1	118.7420	0.000	1	122.4665	27.744	2	121.9997	14.526	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:3:1:	C-4:P-4:C-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:S-1:	N(CC[6a]CH)(PC[6a]2S)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(S)	N(CC[6a]CH)(PC[6a]2S)(CH3)	C(C[6a]C[6a]2)(CC[6a]HN)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(S)	121.0660	0.000	1	121.0660	0.000	1	121.0660	0.000	1	121.9997	14.526	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:3:2:	P-4:C-4:P-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:S-2:	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(SPd)	N(PC[6a]2Pd)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(SPd)	127.0330	0.000	1	127.0330	0.000	1	126.4105	0.775	2	126.4105	0.775	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:3:2:	P-4:C-4:P-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:S-2:	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(SPt)	N(PC[6a]2Pt)(CC[6a]CH)(PC[6a]2S)	C(C[6a]C[6a]2)(CH3)(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(SPt)	125.7880	0.000	1	125.7880	0.000	1	126.4105	0.775	2	126.4105	0.775	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:2:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-2:N-2:	N(CC[6a]HH)(CCHH)(PN3)	C(CCHH)(NCP)(H)2	P(NCC)2(NP)2	N(CC[6a]HH)(CCHH)(PN3)	C(CCHH)(NCP)(H)2	P(NCC)2(NP)2	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)2(PHNN)	C(CCCH)(NCP)(H)2	P(NCC)3(H)	N(CCHH)2(PHNN)	C(CCCH)(NCP)(H)2	P(NCC)3(H)	122.9474	0.706	14	122.9474	0.499	14	121.6590	1.886	31	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)2(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	N(CCHH)2(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	120.3974	0.584	14	120.3974	0.341	14	121.6590	1.886	31	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CC[6a]HH)(CCHH)(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	N(CC[6a]HH)(CCHH)(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	121.5343	0.226	3	121.5343	0.051	3	121.6590	1.886	31	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:I-1:	N(CCHH)2(PINN)	C(CCCH)(NCP)(H)2	P(NCC)3(I)	N(CCHH)2(PINN)	C(CCCH)(NCP)(H)2	P(NCC)3(I)	123.7340	0.000	1	123.7340	0.000	1	121.0926	7.784	8	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:I-1:	N(CCHH)2(PINN)	C(CH3)(NCP)(H)2	P(NCC)3(I)	N(CCHH)2(PINN)	C(CH3)(NCP)(H)2	P(NCC)3(I)	121.4455	2.196	6	121.4455	4.823	6	121.0926	7.784	8	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:I-1:	N(CCHH)2(PINN)	C(CHHN)(NCP)(H)2	P(NCC)3(I)	N(CCHH)2(PINN)	C(CHHN)(NCP)(H)2	P(NCC)3(I)	116.3340	0.000	1	116.3340	0.000	1	121.0926	7.784	8	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-1:	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	P(NCC)3(N)	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	P(NCC)3(N)	119.6070	0.595	6	119.6070	0.355	6	121.3870	3.753	12	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-1:	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(N)	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(N)	123.1670	0.545	6	123.1670	0.297	6	121.3870	3.753	12	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CCHH)2(PNNO)	C(CH3)(NCP)(H)2	P(NCC)2(NCH)(O)	N(CCHH)2(PNNO)	C(CH3)(NCP)(H)2	P(NCC)2(NCH)(O)	120.9757	2.637	6	120.9757	6.956	6	120.9757	6.956	6	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:P-4:C-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)(PHNN)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	N(CCHH)(PHNN)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	121.3210	0.000	1	121.3210	0.000	1	121.3210	0.000	1	121.4481	3.350	58	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NN)	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NN)	121.7224	0.698	9	121.7224	0.488	9	121.2258	1.812	27	121.1541	1.889	28	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	P(NCC)3(NP)	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	P(NCC)3(NP)	119.8957	1.311	9	119.8957	1.719	9	121.2258	1.812	27	121.1541	1.889	28	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NP)	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NP)	122.0593	0.796	9	122.0593	0.633	9	121.2258	1.812	27	121.1541	1.889	28	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:P-4:C-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:O-2:	N(CCHH)(PNNO)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(OC)	N(CCHH)(PNNO)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(OC)	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	121.1541	1.889	28	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	C-3:N-3:N-3:N-3:	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CCO)(NCC)3	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CCO)(NCC)3	121.7428	2.243	6	121.7428	5.030	6	121.7428	5.030	6	121.5331	1.803	36	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NHH)	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NHH)	121.6750	0.000	1	121.6750	0.000	1	121.4912	1.298	30	121.5331	1.803	36	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CCHH)2(PN3)	C(CH3)(NCP)(H)2	P(NCC)4	N(CCHH)2(PN3)	C(CH3)(NCP)(H)2	P(NCC)4	121.4848	1.159	29	121.4848	1.343	29	121.4912	1.298	30	121.5331	1.803	36	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	4:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:N-3:	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CFHH)(NCC)3	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CFHH)(NCC)3	121.4503	1.804	6	121.4503	3.253	6	121.6008	2.038	12	121.6008	2.038	12	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	4:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:N-3:	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CFeCC)(NCC)3	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CFeCC)(NCC)3	121.7512	1.084	6	121.7512	1.175	6	121.6008	2.038	12	121.6008	2.038	12	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	4:3:4:3:	P-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:B-4:N-3:	N(PC[5]2B)(CCHH)2	C(CH3)(NCP)(H)2	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	N(PC[5]2B)(CCHH)2	C(CH3)(NCP)(H)2	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(BH3)(NCC)	121.5825	1.681	2	121.5825	2.825	2	121.5825	2.825	2	121.5825	2.825	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:2:1:1:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	N-3:N-2:Cl-1:Cl-1:	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	P(NCC)(NP)(Cl)2	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	P(NCC)(NP)(Cl)2	121.4240	0.902	2	121.4240	0.814	2	121.4240	0.814	2	121.4240	0.814	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:1:1:	C-4:C-4:P-4:	C-4:C-4:N-3:H-1:	N-3:N-3:O-1:O-1:	N(CC[6a]HH)(CCCH)(PNOO)	C(CH3)2(NCP)(H)	P(NCC)(NCH)(O)2	N(CC[6a]HH)(CCCH)(PNOO)	C(CH3)2(NCP)(H)	P(NCC)(NCH)(O)2	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	122.2530	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:C-4:N-3:H-1:	C-3:N-3:N-3:S-1:	N(CCCH)2(PCNS)	C(CH3)2(NCP)(H)	P(CClP)(NCC)2(S)	N(CCCH)2(PCNS)	C(CH3)2(NCP)(H)	P(CClP)(NCC)2(S)	122.1707	1.867	4	122.1707	3.485	4	122.1707	3.485	4	121.3414	19.304	16	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:1:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	121.6186	1.194	8	121.6186	1.426	8	121.6186	1.426	8	121.3414	19.304	16	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:1:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:S-1:	N(PC[6a]2S)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(S)	N(PC[6a]2S)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(S)	121.0325	10.251	2	121.0325	105.082	2	121.0325	105.082	2	121.3414	19.304	16	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:1:	P-4:P-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:S-1:	N(PC[6a]2S)(PC[6a]NS)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(S)	N(PC[6a]2S)(PC[6a]NS)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(S)	127.4970	0.000	1	127.4970	0.000	1	127.4970	0.000	1	121.3414	19.304	16	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:1:	P-4:P-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:N-3:S-1:	N(PC[6a]2S)(PC[6a]NS)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)(NCH)(NCP)(S)	N(PC[6a]2S)(PC[6a]NS)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)(NCH)(NCP)(S)	110.2690	0.000	1	110.2690	0.000	1	110.2690	0.000	1	121.3414	19.304	16	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:2:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-2:	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(ONi)	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(ONi)	120.3620	6.242	2	120.3620	38.967	2	120.3620	38.967	2	121.2067	21.624	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:2:	P-4:P-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:S-2:	N(PC[6a]N[5a]Pd)(PC[6a]2S)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(SPd)	N(PC[6a]N[5a]Pd)(PC[6a]2S)(CCCH)	C(CH3)2(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(SPd)	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	121.2067	21.624	3	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:4:3:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(BH3)(NCC)	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(BH3)(NCC)	120.1900	0.223	2	120.1900	0.050	2	120.1900	0.050	2	120.1900	0.050	2	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP2_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	4:3:4:3:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5]-4:C[6a]-3:B-4:N-3:	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	121.3690	0.000	1	122.2126	8.395	569	122.2126	8.395	569
956	490	992	0:SP3_SP3_SP3	N	C	P	4:3:4:	3:1:1:1:	3:3:3:1:	P-4:N-3:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(NCoC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(NCoC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	121.6114	2.782	10	121.6114	7.741	10	120.5704	6.934	20	120.5704	6.934	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:3:4:	3:1:1:1:	3:3:3:1:	P-4:N-3:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(NMnC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(NMnC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	117.4023	1.284	3	117.4023	1.649	3	120.5704	6.934	20	120.5704	6.934	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:3:4:	3:1:1:1:	3:3:3:1:	P-4:N-3:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(NNiC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(NNiC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	120.7883	2.053	3	120.7883	4.213	3	120.5704	6.934	20	120.5704	6.934	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:3:4:	3:1:1:1:	3:3:3:1:	P-4:N-3:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(NZnC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(NZnC)(CH3)	C(NNP)(H)3	P(NCN)3(S)	120.1803	1.699	4	120.1803	2.885	4	120.5704	6.934	20	120.5704	6.934	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:3:4:	4:3:1:1:	3:3:3:2:	P-4:P-3:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:N-2:	N(PC[6a]2N)(PC[6a]2)(CCHH)	C(CCHH)(NPP)(H)2	P(C[6a]C[6a]2)2(NCP)(NSi)	N(PC[6a]2N)(PC[6a]2)(CCHH)	C(CCHH)(NPP)(H)2	P(C[6a]C[6a]2)2(NCP)(NSi)	118.0550	0.000	1	118.0550	0.000	1	118.0550	0.000	1	118.0550	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:1:1:1:	2:2:3:1:	C-4:P-4:H-1:	N-3:H-1:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CH3)(PO3)(H)	C(NHP)(H)3	P(OC[6a])2(NCH)(O)	N(CH3)(PO3)(H)	C(NHP)(H)3	P(OC[6a])2(NCH)(O)	122.5260	0.000	1	122.5260	0.000	1	122.5260	0.000	1	122.5260	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:1:1:1:	3:3:2:1:	P-4:C-4:H-1:	N-3:H-1:H-1:H-1:	N-3:N-3:N-2:O-1:	N(PNNO)(CH3)(H)	C(NHP)(H)3	P(NCH)2(NC)(O)	N(PNNO)(CH3)(H)	C(NHP)(H)3	P(NCH)2(NC)(O)	120.3920	0.759	2	120.3920	0.577	2	120.3920	0.577	2	120.3920	0.577	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	2:2:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CC[6a]HH)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(OC[6a])2(NCH)(O)	N(CC[6a]HH)(PO3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(OC[6a])2(NCH)(O)	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	2:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	O-2:N-3:N-3:O-1:	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(OC[6a])(NCH)2(O)	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(OC[6a])(NCH)2(O)	122.9040	3.900	2	122.9040	15.213	2	122.9040	15.213	2	122.9040	15.213	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:2:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:O-2:N-3:O-1:	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NC[6]H)(OC[6a])(NCH)(O)	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NC[6]H)(OC[6a])(NCH)(O)	123.2940	0.000	1	123.2940	0.000	1	123.2940	0.000	1	123.2940	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:2:3:2:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:O-2:N-3:O-2:	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NC[6a]H)(OC[6a])(NCH)(OSn)	N(CC[6a]HH)(PNOO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NC[6a]H)(OC[6a])(NCH)(OSn)	127.8630	0.000	1	127.8630	0.000	1	127.8630	0.000	1	127.8630	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N-3:N-3:O-1:	N(CC[6a]HH)(PC[6a]NO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(C[6a]C[6a]2)(NC[6a]H)(NCH)(O)	N(CC[6a]HH)(PC[6a]NO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(C[6a]C[6a]2)(NC[6a]H)(NCH)(O)	120.4755	0.654	2	120.4755	0.428	2	120.4755	0.428	2	120.8894	7.077	9	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(O)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(O)	121.9960	2.171	3	121.9960	4.714	3	122.5202	3.634	5	120.8894	7.077	9	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NC[6a]H)(NCH)2(O)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NC[6a]H)(NCH)2(O)	123.3065	1.746	2	123.3065	3.048	2	122.5202	3.634	5	120.8894	7.077	9	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:S-1:	N(CC[6a]HH)(PNNS)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(S)	N(CC[6a]HH)(PNNS)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(S)	117.2265	1.084	2	117.2265	1.175	2	117.2265	1.175	2	120.8894	7.077	9	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:2:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-2:	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(OSn)	N(CC[6a]HH)(PNNO)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)3(OSn)	122.4590	0.670	3	122.4590	0.449	3	122.4590	0.449	3	122.4590	0.449	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:3:	C-4:P-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(CC[5a]HH)(PC[6a]3)(H)	C(C[5a]C[5a]O[5a])(NHP)(H)2	P(C[6a]C[6a]2)3(NCH)	N(CC[5a]HH)(PC[6a]3)(H)	C(C[5a]C[5a]O[5a])(NHP)(H)2	P(C[6a]C[6a]2)3(NCH)	125.7510	0.000	1	125.7510	0.000	1	125.7510	0.000	1	125.0950	0.861	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:3:3:3:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CC[6a]HH)(PN3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)4	N(CC[6a]HH)(PN3)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(NCH)4	124.4390	0.000	1	124.4390	0.000	1	124.4390	0.000	1	125.0950	0.861	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:3:1:1:	3:4:4:3:	C-4:P-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:B-4:C-4:N-3:	N(CC[6a]HH)(PC[6a]BC)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(C[6a]C[6a]2)(BH3)(CC3)(NCH)	N(CC[6a]HH)(PC[6a]BC)(H)	C(C[6a]C[6a]2)(NHP)(H)2	P(C[6a]C[6a]2)(BH3)(CC3)(NCH)	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	124.4990	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	2:2:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	O-2:O-2:N-3:O-1:	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	P(OC[6a])2(NCH)(O)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CCHH)(NHP)(H)	P(OC[6a])2(NCH)(O)	120.9080	0.000	1	120.9080	0.000	1	124.6933	10.752	3	124.6933	10.752	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	2:2:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	O-2:O-2:N-3:O-1:	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(OC[6a])2(NCH)(O)	N(CC[6a]CH)(PO3)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(OC[6a])2(NCH)(O)	126.5860	0.103	2	126.5860	0.011	2	124.6933	10.752	3	124.6933	10.752	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:2:2:1:	C-4:P-4:H-1:	C[6a]-3:P[6]-4:N-3:H-1:	N-3:O-2:O-2:O-1:	N(CC[6a]P[6]H)(PO3)(H)	C(C[6a]C[6a]2)(P[6]O[6]2O)(NHP)(H)	P(NCH)(OC)2(O)	N(CC[6a]P[6]H)(PO3)(H)	C(C[6a]C[6a]2)(P[6]O[6]2O)(NHP)(H)	P(NCH)(OC)2(O)	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	123.9440	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:2:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:O-2:N-3:S-1:	N(CC[6a]CH)(PC[6a]OS)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	P(C[6a]C[6a]2)(OC[6a])(NCH)(S)	N(CC[6a]CH)(PC[6a]OS)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(NHP)(H)	P(C[6a]C[6a]2)(OC[6a])(NCH)(S)	125.7440	0.000	1	125.7440	0.000	1	125.7440	0.000	1	125.7440	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:1:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:N-3:O-1:O-1:	N(CC[6a]CH)(PC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)(NCH)(O)2	N(CC[6a]CH)(PC[6a]OO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)(NCH)(O)2	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[5a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[5a]CH)(PC[6a]2O)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[5a]CH)(PC[6a]2O)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	121.6200	0.000	1	121.6200	0.000	1	121.6200	0.000	1	122.3407	2.681	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CCHN)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	120.7355	0.555	2	120.7355	0.308	2	120.6034	0.439	5	122.3407	2.681	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CC)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	119.5530	0.000	1	119.5530	0.000	1	120.6034	0.439	5	122.3407	2.681	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]CH)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	120.9965	0.009	2	120.9965	0.000	2	120.6034	0.439	5	122.3407	2.681	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(NCH)3(O)	N(CC[6a]CH)(PNNO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(NCH)3(O)	123.8083	0.618	8	123.8083	0.382	8	123.8083	0.382	8	122.3407	2.681	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:1:	P-4:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:Se-1:	N(PC[6a]2Se)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	N(PC[6a]2Se)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(Se)	121.1745	0.472	2	121.1745	0.222	2	121.1745	0.222	2	122.3407	2.681	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:3:2:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:N-2:	N(CC[6a]CH)(PC[6a]2N)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(NC)	N(CC[6a]CH)(PC[6a]2N)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(NC)	120.1223	1.367	4	120.1223	1.868	4	120.1223	1.868	4	120.1223	1.868	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:3:4:3:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	N(CC[6a]CH)(PC[6a]2B)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(BH3)(NCH)	121.7155	0.654	2	121.7155	0.428	2	121.7155	0.428	2	121.7155	0.428	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	3:4:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C-4:N-3:O-1:	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)(CC3)(NCH)(O)	N(CC[6a]CH)(PC[6a]CO)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(C[6a]C[6a]2)(CC3)(NCH)(O)	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:1:	4:3:2:1:	C-4:P-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C-4:N-3:S-2:O-1:	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(CCHH)(NCH)(SC)(O)	N(CC[6a]CH)(PCOS)(H)	C(C[6a]C[6a]2)(CH3)(NHP)(H)	P(CCHH)(NCH)(SC)(O)	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	121.5010	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:3:3:	2:2:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:C-3:N-3:	O-2:O-2:N-3:O-1:	N(CC[6a]CC)(PO3)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	P(OC[6a])2(NCH)(O)	N(CC[6a]CC)(PO3)(H)	C(C[6a]C[6a]2)(CCHN)(COO)(NHP)	P(OC[6a])2(NCH)(O)	125.5410	0.000	1	125.5410	0.000	1	125.5410	0.000	1	125.5410	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	3:4:4:3:	3:3:3:1:	C-4:P-4:H-1:	C[6a]-3:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	P(C[6a]C[6a]2)2(NCH)(O)	N(CC[6a]CC)(PC[6a]2O)(H)	C(C[6a]C[6a]2)(CF3)(CH3)(NHP)	P(C[6a]C[6a]2)2(NCH)(O)	131.6950	0.000	1	131.6950	0.000	1	131.6950	0.000	1	131.6950	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	2:2:3:1:	C-4:P-4:H-1:	C-4:N-3:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CCHH)(PO3)(H)	C(CCHH)(NHP)(H)2	P(OC[6a])2(NCH)(O)	N(CCHH)(PO3)(H)	C(CCHH)(NHP)(H)2	P(OC[6a])2(NCH)(O)	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	122.9920	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:2:2:1:	C-4:P-4:H-1:	C-4:N-3:H-1:H-1:	N-3:O-2:O-2:S-1:	N(CCHH)(POOS)(H)	C(CHHO)(NHP)(H)2	P(NCH)(OC)2(S)	N(CCHH)(POOS)(H)	C(CHHO)(NHP)(H)2	P(NCH)(OC)2(S)	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	124.3603	3.865	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:2:2:1:	C-4:P-4:H-1:	C[6]-4:N-3:H-1:H-1:	N-3:O-2:O-2:O-1:	N(CC[6]HH)(PO3)(H)	C(C[6]C[6,6]C[6]C)(NHP)(H)2	P(NCH)(OC)2(O)	N(CC[6]HH)(PO3)(H)	C(C[6]C[6,6]C[6]C)(NHP)(H)2	P(NCH)(OC)2(O)	124.4365	2.774	2	124.4365	7.695	2	124.4365	7.695	2	124.3603	3.865	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:3:2:2:	P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	N[6]-3:N-3:N-2:N-2:	N(PN[6]NN)(CCHH)(H)	C(CH3)(NHP)(H)2	P(N[6]C[6]2)(NCH)(NP)2	N(PN[6]NN)(CCHH)(H)	C(CH3)(NHP)(H)2	P(N[6]C[6]2)(NCH)(NP)2	123.1250	0.000	1	123.1250	0.000	1	123.1250	0.000	1	123.1250	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:1:1:	3:3:4:3:	P-4:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(CCHH)(H)	C(CHHN)(NHP)(H)2	P(C[6a]C[6a]2)2(BH3)(NCH)	N(PC[6a]2B)(CCHH)(H)	C(CHHN)(NHP)(H)2	P(C[6a]C[6a]2)2(BH3)(NCH)	128.7380	0.000	1	128.7380	0.000	1	128.7380	0.000	1	128.7380	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:3:1:	2:2:3:2:	C-4:P-4:H-1:	C-4:C[6a]-3:N-3:H-1:	N-2:N-2:N-3:N-2:	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	P(NC[5])2(NCH)(NC)	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	P(NC[5])2(NCH)(NC)	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:3:1:	2:2:3:3:	C-4:P-4:H-1:	C-4:C[6a]-3:N-3:H-1:	N-2:N-2:N-3:N-3:	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	P(NC[5])2(NCH)2	N(CC[6a]CH)(PN3)(H)	C(CC[6a]N[5]H)(C[6a]C[6a]2)(NHP)(H)	P(NC[5])2(NCH)2	124.5457	6.203	3	124.5457	38.475	3	124.5457	38.475	3	124.5457	38.475	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:3:1:	2:3:2:1:	C-4:P-4:H-1:	C-4:C-3:N-3:H-1:	O-2:N-3:O-2:O-1:	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	P(OC[6a])(NCH)(OC)(O)	N(CCCH)(PO3)(H)	C(CH3)(COO)(NHP)(H)	P(OC[6a])(NCH)(OC)(O)	121.7140	2.714	2	121.7140	7.365	2	121.7140	7.365	2	121.7140	7.365	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:3:3:3:	3:3:3:2:	C-4:P-4:H-1:	C[5]-4:C[6a]-3:C[6a]-3:N-3:	N-3:N-3:N-3:N-2:	N(CC[6a]2C[5])(PN3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	P(NCH)3(NC)	N(CC[6a]2C[5])(PN3)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(NHP)	P(NCH)3(NC)	130.0790	0.000	1	130.0790	0.000	1	130.0790	0.000	1	130.0790	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	2:2:3:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	O-2:O-2:N-3:O-1:	N(CCCH)(PO3)(H)	C(CCHH)(CH3)(NHP)(H)	P(OC[6a])2(NCH)(O)	N(CCCH)(PO3)(H)	C(CCHH)(CH3)(NHP)(H)	P(OC[6a])2(NCH)(O)	127.7780	0.000	1	127.7780	0.000	1	126.1800	5.107	2	126.1800	5.107	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	2:2:3:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	O-2:O-2:N-3:O-1:	N(CCCH)(PO3)(H)	C(CCHH)2(NHP)(H)	P(OC[6a])2(NCH)(O)	N(CCCH)(PO3)(H)	C(CCHH)2(NHP)(H)	P(OC[6a])2(NCH)(O)	124.5820	0.000	1	124.5820	0.000	1	126.1800	5.107	2	126.1800	5.107	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	2:3:3:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	O-2:N-3:N-3:O-1:	N(CCCH)(PNOO)(H)	C(CH3)2(NHP)(H)	P(OC[6a])(NCC)(NCH)(O)	N(CCCH)(PNOO)(H)	C(CH3)2(NHP)(H)	P(OC[6a])(NCC)(NCH)(O)	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:2:2:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	N-3:O-2:O-2:O-1:	N(CCCH)(PO3)(H)	C(CH3)2(NHP)(H)	P(NCH)(OP)2(O)	N(CCCH)(PO3)(H)	C(CH3)2(NHP)(H)	P(NCH)(OP)2(O)	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	125.2640	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	N-3:N-3:N-3:O-1:	N(CCCH)(PNNO)(H)	C(CH3)2(NHP)(H)	P(NCH)3(O)	N(CCCH)(PNNO)(H)	C(CH3)2(NHP)(H)	P(NCH)3(O)	123.7758	1.747	4	123.7758	3.053	4	123.7758	3.053	4	122.2240	8.085	6	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:1:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(PC[6a]2O)(CCCH)(H)	C(CC3)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	118.0310	0.000	1	118.0310	0.000	1	119.1205	2.374	2	122.2240	8.085	6	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:1:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CCCH)(H)	C(CCHH)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	N(PC[6a]2O)(CCCH)(H)	C(CCHH)(CH3)(NHP)(H)	P(C[6a]C[6a]2)2(NCH)(O)	120.2100	0.000	1	120.2100	0.000	1	119.1205	2.374	2	122.2240	8.085	6	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:3:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:N-3:	N(PC[6a]2C)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(CHP)(NCH)	N(PC[6a]2C)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(CHP)(NCH)	122.1010	0.000	1	122.1010	0.000	1	122.1010	0.000	1	122.6086	2.273	5	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:3:3:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:N-3:	N(PC[6a]2N)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(NCH)2	N(PC[6a]2N)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(NCH)2	122.7355	1.710	4	122.7355	2.923	4	122.7355	2.923	4	122.6086	2.273	5	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	3:3:4:3:	P-4:C-4:H-1:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	N(PC[6a]2C)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(CH3)(NCH)	N(PC[6a]2C)(CCCH)(H)	C(CH3)2(NHP)(H)	P(C[6a]C[6a]2)2(CH3)(NCH)	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	125.0410	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	4:3:2:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:N-2:O-1:	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)(NC)(O)	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)(NC)(O)	122.8500	0.174	3	122.8500	0.030	3	122.8500	0.030	3	122.8500	0.030	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:3:1:	4:3:3:1:	C-4:P-4:H-1:	C-4:C-4:N-3:H-1:	C-4:N-3:N-3:O-1:	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)2(O)	N(CCCH)(PCNO)(H)	C(CH3)2(NHP)(H)	P(CC3)(NCH)2(O)	123.9312	1.343	9	123.9312	1.804	9	123.9312	1.804	9	123.9312	1.804	9	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:2:1:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:O-2:O-1:	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OP)(O)	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OP)(O)	124.7130	0.317	2	124.7130	0.100	2	124.7130	0.100	2	124.7130	0.100	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:2:2:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:O-2:O-2:	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OMn)(OP)	N(PNOO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)2(OMn)(OP)	127.8670	1.191	3	127.8670	1.419	3	127.8670	1.419	3	127.8670	1.419	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:3:1:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:N-3:O-1:	N(PNNO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)3(O)	N(PNNO)(CC3)(H)	C(CH3)3(NHP)	P(NCH)3(O)	126.2882	1.410	4	126.2882	1.988	4	126.2882	1.988	4	126.2882	1.988	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:3:3:3:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(PC[6a]3)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)3(NCH)	N(PC[6a]3)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)3(NCH)	129.3640	0.000	1	129.3640	0.000	1	129.3640	0.000	1	129.3640	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:1:	4:4:4:3:	3:4:4:3:	P-4:C-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:P-4:C-4:N-3:	N(PC[6a]CP)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)(PC[6a]WW)(CH3)(NCH)	N(PC[6a]CP)(CC3)(H)	C(CH3)3(NHP)	P(C[6a]C[6a]2)(PC[6a]WW)(CH3)(NCH)	131.3210	0.000	1	131.3210	0.000	1	131.3210	0.000	1	131.3210	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:2:	3:1:1:1:	3:3:3:1:	P-4:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6a]-3:N-3:N-3:O-1:	N(PC[6a]NO)(CH3)(NC)	C(NNP)(H)3	P(C[6a]C[6a]2)(NCN)2(O)	N(PC[6a]NO)(CH3)(NC)	C(NNP)(H)3	P(C[6a]C[6a]2)(NCN)2(O)	123.4930	0.000	1	123.4930	0.000	1	123.4930	0.000	1	121.3260	13.067	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:2:	3:1:1:1:	3:3:3:1:	P-4:C-4:N-2:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(CH3)(NC)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(CH3)(NC)	C(NNP)(H)3	P(NCN)3(S)	120.2425	4.369	2	120.2425	19.090	2	120.2425	19.090	2	121.3260	13.067	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:2:	4:4:3:3:	3:3:3:1:	P-4:C-4:S-2:	C-4:C-4:C-3:N-3:	C[6a]-3:N-3:N-3:O-1:	N(PC[6a]NO)(CC3)(SS)	C(CH3)2(CHH)(NPS)	P(C[6a]C[6a]2)(NCS)2(O)	N(PC[6a]NO)(CC3)(SS)	C(CH3)2(CHH)(NPS)	P(C[6a]C[6a]2)(NCS)2(O)	123.3230	0.000	1	123.3230	0.000	1	123.3230	0.000	1	123.3230	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:2:	4:4:4:3:	3:3:3:1:	P-4:C-4:S-2:	C-4:C-4:C-4:N-3:	C[6a]-3:N-3:N-3:O-1:	N(PC[6a]NO)(CC3)(SS)	C(CH3)3(NPS)	P(C[6a]C[6a]2)(NCS)2(O)	N(PC[6a]NO)(CC3)(SS)	C(CH3)3(NPS)	P(C[6a]C[6a]2)(NCS)2(O)	122.0240	0.000	1	122.0240	0.000	1	122.0240	0.000	1	122.0240	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:3:	3:1:1:1:	3:2:2:1:	P-4:C-4:N-3:	N-3:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	N(POOS)(CH3)(NCH)	C(NNP)(H)3	P(NCN)(OC)2(S)	N(POOS)(CH3)(NCH)	C(NNP)(H)3	P(NCN)(OC)2(S)	121.8680	0.397	2	121.8680	0.158	2	121.8680	0.158	2	121.8680	0.158	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:3:	3:1:1:1:	3:3:3:1:	P-4:C-4:N-3:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)(NHH)	C(NNP)(H)3	P(NCN)3(O)	N(PNNO)(CH3)(NHH)	C(NNP)(H)3	P(NCN)3(O)	119.1190	2.010	2	119.1190	4.038	2	119.1190	4.038	2	119.8808	1.493	5	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:3:	3:1:1:1:	3:3:3:1:	P-4:C-4:N-3:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(CH3)(NHH)	C(NNP)(H)3	P(NCN)3(S)	N(PNNS)(CH3)(NHH)	C(NNP)(H)3	P(NCN)3(S)	120.3887	0.014	3	120.3887	0.000	3	120.3887	0.000	3	119.8808	1.493	5	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:3:	3:1:1:1:	4:4:4:3:	P-4:C-4:N-3:	N-3:H-1:H-1:H-1:	B-4:C-4:C-4:N-3:	N(PBCC)(CH3)(NCP)	C(NNP)(H)3	P(BH3)(CC3)(CH3)(NCN)	N(PBCC)(CH3)(NCP)	C(NNP)(H)3	P(BH3)(CC3)(CH3)(NCN)	124.7315	0.163	2	124.7315	0.027	2	124.7315	0.027	2	124.7315	0.027	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:3:	4:3:1:1:	2:2:3:1:	C-4:P-4:P-3:	C-4:N-3:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CCHH)(PO3)(POO)	C(CH3)(NPP)(H)2	P(OC[6a])2(NCP)(O)	N(CCHH)(PO3)(POO)	C(CH3)(NPP)(H)2	P(OC[6a])2(NCP)(O)	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	116.2730	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:2:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:O-2:N-3:S-1:	N(POOS)(CH3)2	C(NCP)(H)3	P(OC[6a])2(NCC)(S)	N(POOS)(CH3)2	C(NCP)(H)3	P(OC[6a])2(NCC)(S)	122.1650	2.827	2	122.1650	7.992	2	122.1650	7.992	2	121.9690	5.084	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:2:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:O-2:N-3:Se-1:	N(PSeOO)(CH3)2	C(NCP)(H)3	P(OC[6a])2(NCC)(Se)	N(PSeOO)(CH3)2	C(NCP)(H)3	P(OC[6a])2(NCC)(Se)	121.7730	2.666	2	121.7730	7.106	2	121.7730	7.106	2	121.9690	5.084	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:1:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:N-3:Cl-1:O-1:	N(PClOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)(Cl)(O)	N(PClOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)(Cl)(O)	119.1060	0.182	2	119.1060	0.033	2	119.1060	0.033	2	119.1060	0.033	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:2:1:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	O-2:N-3:O-2:O-1:	N(CH3)2(PO3)	C(NCP)(H)3	P(OC[6a])(NCC)(OP)(O)	N(CH3)2(PO3)	C(NCP)(H)3	P(OC[6a])(NCC)(OP)(O)	119.5540	0.184	2	119.5540	0.034	2	119.5540	0.034	2	120.4592	1.120	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:2:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:N-3:C-2:O-1:	N(PCOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)(CN)(O)	N(PCOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)(CN)(O)	121.3645	0.221	2	121.3645	0.049	2	121.3645	0.049	2	120.4592	1.120	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:N-3:N-3:O-1:	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6])(NCC)2(O)	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6])(NCC)2(O)	120.7173	2.712	8	120.7173	7.355	8	120.4136	5.841	16	120.4136	5.841	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:N-3:N-3:O-1:	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)(NCH)(O)	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)(NCH)(O)	119.5820	0.331	2	119.5820	0.110	2	120.4136	5.841	16	120.4136	5.841	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	O-2:N-3:N-3:O-1:	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)2(O)	N(PNOO)(CH3)2	C(NCP)(H)3	P(OC[6a])(NCC)2(O)	120.2858	2.600	6	120.2858	6.761	6	120.4136	5.841	16	120.4136	5.841	16	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:2:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-2:N-3:N-3:N-2:	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)2(NP)	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)2(NP)	117.9996	3.519	14	117.9996	12.381	14	117.9996	12.381	14	117.9996	12.381	14	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	2:3:3:3:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-2:N-3:N-3:N-3:	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)3	N(CH3)2(PN3)	C(NCP)(H)3	P(NC[6a])(NCC)3	120.0219	2.499	14	120.0219	6.247	14	120.0219	6.247	14	120.0219	6.247	14	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-2:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NC)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NC)(O)	122.0120	1.889	2	122.0120	3.570	2	122.0120	3.570	2	118.1621	8.117	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:O-2:O-1:	N(CC[6a]HH)(PNOO)(CH3)	C(NCP)(H)3	P(NCC)2(OP)(O)	N(CC[6a]HH)(PNOO)(CH3)	C(NCP)(H)3	P(NCC)2(OP)(O)	118.0375	2.683	2	118.0375	7.201	2	118.0375	7.201	2	118.1621	8.117	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-2:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NC)(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NC)(O)	115.7000	0.000	1	115.7000	0.000	1	115.6680	4.191	3	118.1621	8.117	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-2:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NS)(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NS)(O)	115.6520	2.895	2	115.6520	8.380	2	115.6680	4.191	3	118.1621	8.117	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:O-2:O-1:	N(C[6]C[6]2H)(PNOO)(CH3)	C(NC[6]P)(H)3	P(NC[6a]H)(NC[6]C)(OC[6a])(O)	N(C[6]C[6]2H)(PNOO)(CH3)	C(NC[6]P)(H)3	P(NC[6a]H)(NC[6]C)(OC[6a])(O)	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	118.1621	8.117	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-2:Br-1:	N(PBrNN)(CH3)2	C(NCP)(H)3	P(NCC)2(NP)(Br)	N(PBrNN)(CH3)2	C(NCP)(H)3	P(NCC)2(NP)(Br)	117.8260	2.546	4	117.8260	6.484	4	117.8260	6.484	4	118.1621	8.117	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:2:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:O-2:N-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)2(OLi)(NC)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)2(OLi)(NC)	121.2452	2.690	4	121.2452	7.237	4	121.2452	7.237	4	121.2452	7.237	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-1:	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(N)	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(N)	119.3015	4.775	4	119.3015	22.802	4	119.3015	22.802	4	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)(PHNN)(CH3)	C(NCP)(H)3	P(NCC)3(H)	N(CCHH)(PHNN)(CH3)	C(NCP)(H)3	P(NCC)3(H)	118.6285	0.120	2	118.6285	0.014	2	118.6285	0.014	2	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NCH)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NCH)(O)	120.4747	4.290	6	120.4747	18.408	6	120.9728	13.940	9	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NHS)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)2(NHS)(O)	118.8070	0.000	1	118.8070	0.000	1	120.9728	13.940	9	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NC[6a]H)(NCC)2(O)	N(CC[6a]HH)(PNNO)(CH3)	C(NCP)(H)3	P(NC[6a]H)(NCC)2(O)	123.5500	0.134	2	123.5500	0.018	2	120.9728	13.940	9	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)(NC[6]H)2(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)(NC[6]H)2(O)	117.6560	0.000	1	117.6560	0.000	1	118.4674	5.514	9	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NCH)(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6]C)2(NCH)(O)	118.3263	2.584	7	118.3263	6.680	7	118.4674	5.514	9	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	C[6]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6a]H)(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(PNNO)(CH3)	C(NC[6]P)(H)3	P(NC[6a]H)(NC[6]C)(NC[6]H)(O)	120.2670	0.000	1	120.2670	0.000	1	118.4674	5.514	9	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:I-1:	N(PINN)(CH3)2	C(NCP)(H)3	P(NCC)3(I)	N(PINN)(CH3)2	C(NCP)(H)3	P(NCC)3(I)	121.6872	2.510	10	121.6872	6.302	10	121.6872	6.302	10	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)2(NCH)(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)2(NCH)(O)	119.7560	0.194	2	119.7560	0.038	2	120.0555	5.330	35	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(O)	119.9397	2.322	31	119.9397	5.391	31	120.0555	5.330	35	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-1:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[6a]H)2(NCC)(O)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NC[6a]H)2(NCC)(O)	122.1505	3.171	2	122.1505	10.058	2	120.0555	5.330	35	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-1:	N(PNNS)(CH3)2	C(NCP)(H)3	P(NCC)3(S)	N(PNNS)(CH3)2	C(NCP)(H)3	P(NCC)3(S)	121.2897	1.976	3	121.2897	3.903	3	121.2897	3.903	3	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:Se-1:	N(PSeNN)(CH3)2	C(NCP)(H)3	P(NCC)2(NCP)(Se)	N(PSeNN)(CH3)2	C(NCP)(H)3	P(NCC)2(NCP)(Se)	122.5968	2.183	8	122.5968	4.767	8	122.5968	4.767	8	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N-3:N-3:O-1:	N(PN[5]NO)(CH3)2	C(NCP)(H)3	P(N[5]C[5,6a]C[5,6])(NCC)2(O)	N(PN[5]NO)(CH3)2	C(NCP)(H)3	P(N[5]C[5,6a]C[5,6])(NCC)2(O)	120.2345	4.496	2	120.2345	20.218	2	120.2345	20.218	2	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N-3:N-3:O-1:	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(O)	119.1415	1.969	2	119.1415	3.878	2	119.1415	3.878	2	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N-3:N-3:O-1:	N(PN[6]NO)(CH3)2	C(NCP)(H)3	P(N[6]C[6,6]C[6])(NCC)2(O)	N(PN[6]NO)(CH3)2	C(NCP)(H)3	P(N[6]C[6,6]C[6])(NCC)2(O)	121.9965	3.029	4	121.9965	9.172	4	121.9965	9.172	4	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:1:	P-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:Se-1:	N(PSeNN)2(CH3)	C(NPP)(H)3	P(NCC)2(NCP)(Se)	N(PSeNN)2(CH3)	C(NPP)(H)3	P(NCC)2(NCP)(Se)	114.4460	1.881	2	114.4460	3.538	2	114.4460	3.538	2	120.3168	8.442	90	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NN)	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NN)	120.5132	0.750	6	120.5132	0.562	6	120.5497	5.483	46	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(NP)	N(CH3)2(PN3)	C(NCP)(H)3	P(NCC)3(NP)	120.5552	2.501	40	120.5552	6.254	40	120.5497	5.483	46	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	C-4:P-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(CCHH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)3(OC)	N(CCHH)(PNNO)(CH3)	C(NCP)(H)3	P(NCC)3(OC)	123.2464	1.376	5	123.2464	1.894	5	123.2464	1.894	5	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N-3:N-3:O-2:	N(PC[6a]NO)(CH3)2	C(NCP)(H)3	P(C[6a]C[6a]2)(NCC)2(OMn)	N(PC[6a]NO)(CH3)2	C(NCP)(H)3	P(C[6a]C[6a]2)(NCC)2(OMn)	120.0007	0.885	16	120.0007	0.783	16	120.0007	0.783	16	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:C-2:	N(PCNN)(CH3)2	C(NCP)(H)3	P(NCC)3(CN)	N(PCNN)(CH3)2	C(NCP)(H)3	P(NCC)3(CN)	122.2327	2.694	4	122.2327	7.256	4	122.2327	7.256	4	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OAl)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OAl)	121.3858	2.398	8	121.3858	5.749	8	120.7646	7.173	77	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCo)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCo)	120.4614	2.486	20	120.4614	6.181	20	120.7646	7.173	77	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCu)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OCu)	117.7080	1.267	2	117.7080	1.606	2	120.7646	7.173	77	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OLi)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OLi)	120.6118	2.860	18	120.6118	8.182	18	120.7646	7.173	77	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMg)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMg)	121.8038	2.376	15	121.8038	5.647	15	120.7646	7.173	77	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMn)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OMn)	118.7655	2.237	2	118.7655	5.002	2	120.7646	7.173	77	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:O-2:	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OSr)	N(PNNO)(CH3)2	C(NCP)(H)3	P(NCC)3(OSr)	120.6284	3.222	12	120.6284	10.384	12	120.7646	7.173	77	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:P-2:	N(PNNP)(CH3)2	C(NCP)(H)3	P(NCC)3(PP)	N(PNNP)(CH3)2	C(NCP)(H)3	P(NCC)3(PP)	122.2313	2.074	7	122.2313	4.303	7	122.2313	4.303	7	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:S-2:	N(PNNS)(CH3)2	C(NCP)(H)3	P(NCC)3(SS)	N(PNNS)(CH3)2	C(NCP)(H)3	P(NCC)3(SS)	122.2345	2.806	4	122.2345	7.876	4	122.2345	7.876	4	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:2:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N-3:N-3:O-2:	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	N(PN[5a]NO)(CH3)2	C(NCP)(H)3	P(N[5a]C[5a,6a]C[5a])(NCC)2(OMn)	121.7629	2.632	8	121.7629	6.925	8	121.7629	6.925	8	120.8862	6.090	167	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:3:	C-4:C-4:P-4:	N-3:H-1:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NHH)	N(CCHH)(CH3)(PN3)	C(NCP)(H)3	P(NCC)3(NHH)	120.3785	0.790	2	120.3785	0.624	2	120.3785	0.624	2	118.9300	10.171	8	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:3:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C-3:N-3:N-3:N-3:	N(PCNN)(CH3)2	C(NCP)(H)3	P(CHH)(NCC)3	N(PCNN)(CH3)2	C(NCP)(H)3	P(CHH)(NCC)3	118.4472	3.605	6	118.4472	12.995	6	118.4472	12.995	6	118.9300	10.171	8	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:4:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(CCCH)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)2(BH3)(NCC)	N(PC[6a]2B)(CCCH)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)2(BH3)(NCC)	119.6750	0.321	2	119.6750	0.103	2	119.6750	0.103	2	119.6750	0.103	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:3:4:4:	C[5]-4:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N-3:B-4:C-4:	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)(CH3)	C(NC[5]P)(H)3	P(C[6a]C[6a]2)(NC[5]C)(BH3)(CH3)	N(C[5]C[5,6a]C[5]H)(PC[6a]BC)(CH3)	C(NC[5]P)(H)3	P(C[6a]C[6a]2)(NC[5]C)(BH3)(CH3)	118.6430	0.000	1	118.6430	0.000	1	118.6430	0.000	1	118.6430	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	3:4:3:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:B-4:N-3:N-3:	N(PC[6a]BN)(CCCH)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)(BH3)(NCC)2	N(PC[6a]BN)(CCCH)(CH3)	C(NCP)(H)3	P(C[6a]C[6a]2)(BH3)(NCC)2	121.1135	0.098	2	121.1135	0.010	2	121.1135	0.010	2	121.1135	0.010	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	4:3:3:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	B-4:N-3:N-3:N-3:	N(PBNN)(CH3)2	C(NCP)(H)3	P(BH3)(NCC)3	N(PBNN)(CH3)2	C(NCP)(H)3	P(BH3)(NCC)3	118.0938	3.443	4	118.0938	11.851	4	118.0938	11.851	4	118.0938	11.851	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	4:3:4:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[6a]-3:B-4:N-3:	N(PC[6a]C[5]B)(CCCH)(CH3)	C(NCP)(H)3	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	N(PC[6a]C[5]B)(CCCH)(CH3)	C(NCP)(H)3	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	117.1490	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:1:1:1:	4:4:3:3:	P-4:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C-4:N-3:N-3:	N(PC[5]CN)(CH3)2	C(NCP)(H)3	P(C[5]C[5]2Li)(CLiHH)(NCC)2	N(PC[5]CN)(CH3)2	C(NCP)(H)3	P(C[5]C[5]2Li)(CLiHH)(NCC)2	122.0435	4.375	2	122.0435	19.139	2	122.0435	19.139	2	122.0435	19.139	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:2:2:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:O-2:O-2:S-1:	N(CC[6a]HH)2(POOS)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)(OC)2(S)	N(CC[6a]HH)2(POOS)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)(OC)2(S)	121.4090	2.991	2	121.4090	8.946	2	121.4090	8.946	2	121.4090	8.946	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:2:1:	C-4:P-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-2:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NC)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NC)(O)	121.3165	0.032	2	121.3165	0.001	2	121.3165	0.001	2	122.3337	8.340	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:2:1:	C-4:P-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:O-2:O-1:	N(CC[6a]HH)(PNOO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(OP)(O)	N(CC[6a]HH)(PNOO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(OP)(O)	123.3510	4.569	2	123.3510	20.879	2	123.3510	20.879	2	122.3337	8.340	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:2:2:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-2:N-2:	N(CC[6a]HH)(CCHH)(PN3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NP)2	N(CC[6a]HH)(CCHH)(PN3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NP)2	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	120.1880	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]HH)2(PC[6a]2O)	C(C[6a]C[6a]2)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(O)	N(CC[6a]HH)2(PC[6a]2O)	C(C[6a]C[6a]2)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(O)	119.9865	2.444	2	119.9865	5.975	2	119.9865	5.975	2	120.7376	7.866	32	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)3(H)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)3(H)	119.1680	0.000	1	119.1680	0.000	1	118.6350	3.129	3	120.7376	7.866	32	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	P(NCC)3(H)	N(CC[6a]HH)(CCHH)(PHNN)	C(C[6a]C[6a]N[6a])(NCP)(H)2	P(NCC)3(H)	118.3685	2.415	2	118.3685	5.831	2	118.6350	3.129	3	120.7376	7.866	32	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)2(PNNO)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	N(CC[6a]HH)2(PNNO)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	120.7253	3.133	18	120.7253	9.816	18	120.7253	9.816	18	120.7376	7.866	32	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:P-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NCH)(O)	122.4573	2.446	6	122.4573	5.982	6	121.6299	5.399	9	120.7376	7.866	32	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:P-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NHS)(O)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NCC)2(NHS)(O)	120.4660	0.000	1	120.4660	0.000	1	121.6299	5.399	9	120.7376	7.866	32	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:3:1:1:	3:3:3:1:	C-4:P-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NC[6a]H)(NCC)2(O)	N(CC[6a]HH)(PNNO)(CH3)	C(C[6a]C[6a]2)(NCP)(H)2	P(NC[6a]H)(NCC)2(O)	119.7295	0.773	2	119.7295	0.597	2	121.6299	5.399	9	120.7376	7.866	32	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CCHO)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	126.1220	0.000	1	126.1220	0.000	1	122.4480	26.997	2	122.4480	26.997	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	3:4:3:1:	3:3:3:1:	C-4:C-4:P-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	N(CC[6a]CH)2(PC[6a]2O)	C(C[6a]C[6a]2)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	118.7740	0.000	1	118.7740	0.000	1	122.4480	26.997	2	122.4480	26.997	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	2:2:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	O-2:O-2:N-3:O-1:	N(CCHH)2(PO3)	C(CH3)(NCP)(H)2	P(OC[5])2(NCC)(O)	N(CCHH)2(PO3)	C(CH3)(NCP)(H)2	P(OC[5])2(NCC)(O)	120.7530	0.345	2	120.7530	0.119	2	120.7530	0.119	2	120.7530	0.119	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	2:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	O-2:N-3:N-3:S-1:	N(CCHH)2(PNOS)	C(CH3)(NCP)(H)2	P(OC[6a])(NCC)2(S)	N(CCHH)2(PNOS)	C(CH3)(NCP)(H)2	P(OC[6a])(NCC)2(S)	121.3915	1.431	4	121.3915	2.047	4	121.3915	2.047	4	121.3915	2.047	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:1:1:1:	P-4:C-4:C-4:	C-4:N-3:H-1:H-1:	N-3:Cl-1:Cl-1:O-1:	N(PCl2O)(CCHH)2	C(CClHH)(NCP)(H)2	P(NCC)(Cl)2(O)	N(PCl2O)(CCHH)2	C(CClHH)(NCP)(H)2	P(NCC)(Cl)2(O)	120.7980	0.314	2	120.7980	0.099	2	120.7980	0.099	2	120.7980	0.099	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:2:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-2:N-2:	N(CC[6a]HH)(CCHH)(PN3)	C(CCHH)(NCP)(H)2	P(NCC)2(NP)2	N(CC[6a]HH)(CCHH)(PN3)	C(CCHH)(NCP)(H)2	P(NCC)2(NP)2	118.6240	0.000	1	118.6240	0.000	1	118.6240	0.000	1	118.6240	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)2(PHNN)	C(CCCH)(NCP)(H)2	P(NCC)3(H)	N(CCHH)2(PHNN)	C(CCCH)(NCP)(H)2	P(NCC)3(H)	121.0490	0.000	1	121.0490	0.000	1	120.1562	0.360	5	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)2(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	N(CCHH)2(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	119.6780	0.000	1	119.6780	0.000	1	120.1562	0.360	5	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CC[6a]HH)(CCHH)(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	N(CC[6a]HH)(CCHH)(PHNN)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	120.0180	0.423	3	120.0180	0.179	3	120.1562	0.360	5	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:I-1:	N(CCHH)2(PINN)	C(CCCH)(NCP)(H)2	P(NCC)3(I)	N(CCHH)2(PINN)	C(CCCH)(NCP)(H)2	P(NCC)3(I)	120.7790	0.996	2	120.7790	0.991	2	120.2293	23.977	10	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:I-1:	N(CCHH)2(PINN)	C(CCHH)(NCP)(H)2	P(NCC)3(I)	N(CCHH)2(PINN)	C(CCHH)(NCP)(H)2	P(NCC)3(I)	121.8160	5.340	6	121.8160	28.519	6	120.2293	23.977	10	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:I-1:	N(CCHH)2(PINN)	C(CHHN)(NCP)(H)2	P(NCC)3(I)	N(CCHH)2(PINN)	C(CHHN)(NCP)(H)2	P(NCC)3(I)	114.9195	0.329	2	114.9195	0.108	2	120.2293	23.977	10	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:O-1:	N(CCHH)2(PNNO)	C(CH3)(NCP)(H)2	P(NCC)2(NCH)(O)	N(CCHH)2(PNNO)	C(CH3)(NCP)(H)2	P(NCC)2(NCH)(O)	121.3283	3.512	10	121.3283	12.335	10	121.3283	12.335	10	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	C-4:P-4:C-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:H-1:	N(CCHH)(PHNN)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	N(CCHH)(PHNN)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(H)	119.8830	0.212	2	119.8830	0.045	2	119.8830	0.045	2	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	P-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CCHH)2	C(CH3)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(O)	N(PC[6a]2O)(CCHH)2	C(CH3)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(O)	120.9890	0.000	1	120.9890	0.000	1	119.1830	6.523	2	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	P-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CCHH)2	C(CHHN)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(O)	N(PC[6a]2O)(CCHH)2	C(CHHN)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(O)	117.3770	0.000	1	117.3770	0.000	1	119.1830	6.523	2	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:1:	P-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:S-1:	N(PC[6a]2S)(CCHH)2	C(CH3)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(S)	N(PC[6a]2S)(CCHH)2	C(CH3)(NCP)(H)2	P(C[6a]C[6a]2)2(NCC)(S)	117.2350	3.634	4	117.2350	13.209	4	117.2350	13.209	4	120.1039	13.260	33	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NN)	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NN)	122.3440	0.516	6	122.3440	0.267	6	121.4130	2.963	12	121.1150	2.972	25	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	P(NCC)3(NP)	N(CCHH)2(PN3)	C(CCCH)(NCP)(H)2	P(NCC)3(NP)	118.6497	0.484	3	118.6497	0.234	3	121.4130	2.963	12	121.1150	2.972	25	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-2:	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NP)	N(CCHH)2(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NP)	122.3143	0.354	3	122.3143	0.125	3	121.4130	2.963	12	121.1150	2.972	25	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	C-4:P-4:C-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:O-2:	N(CCHH)(PNNO)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(OC)	N(CCHH)(PNNO)(CH3)	C(CHHN)(NCP)(H)2	P(NCC)3(OC)	120.1038	0.814	5	120.1038	0.662	5	120.1038	0.662	5	121.1150	2.972	25	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:2:	P-4:C-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:N-3:N-3:S-2:	N(PC[6a]NS)(CCHH)2	C(CH3)(NCP)(H)2	P(C[6a]C[6a]2)(NCC)2(SAu)	N(PC[6a]NS)(CCHH)2	C(CH3)(NCP)(H)2	P(C[6a]C[6a]2)(NCC)2(SAu)	121.3000	2.058	8	121.3000	4.234	8	121.3000	4.234	8	121.1150	2.972	25	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NHH)	N(CCHH)(CH3)(PN3)	C(CHHN)(NCP)(H)2	P(NCC)3(NHH)	121.2250	0.091	2	121.2250	0.008	2	121.3197	0.841	4	121.3197	0.841	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	N-3:N-3:N-3:N-3:	N(CCHH)2(PN3)	C(CH3)(NCP)(H)2	P(NCC)4	N(CCHH)2(PN3)	C(CH3)(NCP)(H)2	P(NCC)4	121.4145	1.575	2	121.4145	2.480	2	121.3197	0.841	4	121.3197	0.841	4	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:4:3:	P-4:P-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	N(PC[6a]2Ni)(PC[6a]2C)(CCHH)	C(CCHH)(NPP)(H)2	P(C[6a]C[6a]2)2(CNiHH)(NCP)	N(PC[6a]2Ni)(PC[6a]2C)(CCHH)	C(CCHH)(NPP)(H)2	P(C[6a]C[6a]2)2(CNiHH)(NCP)	119.7565	0.152	2	119.7565	0.023	2	119.1890	0.978	3	119.1890	0.978	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	3:3:4:3:	P-4:P-4:C-4:	C-4:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:N-3:	N(PC[6a]2Rh)(PC[6a]2C)(CCHH)	C(CHHO)(NPP)(H)2	P(C[6a]C[6a]2)2(CH3)(NCP)	N(PC[6a]2Rh)(PC[6a]2C)(CCHH)	C(CHHO)(NPP)(H)2	P(C[6a]C[6a]2)2(CH3)(NCP)	118.0540	0.000	1	118.0540	0.000	1	119.1890	0.978	3	119.1890	0.978	3	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:1:1:	4:3:3:3:	C-4:C-4:P-4:	C-4:N-3:H-1:H-1:	C-4:N-3:N-3:N-3:	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CFHH)(NCC)3	N(CCHH)2(PCNN)	C(CH3)(NCP)(H)2	P(CFHH)(NCC)3	121.4170	1.605	6	121.4170	2.575	6	121.4170	2.575	6	121.4170	2.575	6	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:3:3:1:	3:3:3:1:	P-4:P-4:C-4:	C-4:C-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)2(CCCH)	C(CH3)(COO)(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(O)	N(PC[6a]2O)2(CCCH)	C(CH3)(COO)(NPP)(H)	P(C[6a]C[6a]2)2(NCP)(O)	117.4230	0.331	2	117.4230	0.110	2	117.4230	0.110	2	117.4230	0.110	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	2:3:1:1:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	N-2:N-3:Cl-1:Cl-1:	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	P(NP[5])(NCC)(Cl)2	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	P(NP[5])(NCC)(Cl)2	121.7375	4.400	2	121.7375	19.363	2	121.7375	19.363	2	121.7375	19.363	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:2:1:1:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	N-3:N-2:Cl-1:Cl-1:	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	P(NCC)(NP)(Cl)2	N(PCl2N)(CCCH)2	C(CH3)2(NCP)(H)	P(NCC)(NP)(Cl)2	121.2405	3.727	2	121.2405	13.892	2	121.2405	13.892	2	121.2405	13.892	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:2:1:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:O-2:O-1:	N(PC[6a]OO)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)(NCC)(OP)(O)	N(PC[6a]OO)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)(NCC)(OP)(O)	120.9760	2.714	2	120.9760	7.365	2	120.9760	7.365	2	120.9760	7.365	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:1:	C-4:C-4:P-4:	C-4:C-4:N-3:H-1:	C-3:N-3:N-3:S-1:	N(CCCH)2(PCNS)	C(CH3)2(NCP)(H)	P(CClP)(NCC)2(S)	N(CCCH)2(PCNS)	C(CH3)2(NCP)(H)	P(CClP)(NCC)2(S)	116.5100	1.713	4	116.5100	2.936	4	116.5100	2.936	4	118.5043	10.227	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:1:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-1:	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(O)	119.5015	3.377	8	119.5015	11.403	8	119.5015	11.403	8	118.5043	10.227	12	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:2:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-2:	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(OSn)	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(OSn)	119.5805	3.589	2	119.5805	12.878	2	120.2715	9.953	14	120.5152	16.618	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:2:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:O-2:	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(OZn)	N(PC[6a]2O)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(OZn)	120.3867	3.239	12	120.3867	10.490	12	120.2715	9.953	14	120.5152	16.618	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:2:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:S-2:	N(PC[6a]2S)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(SPd)	N(PC[6a]2S)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)2(NCC)(SPd)	119.7285	6.995	2	119.7285	48.936	2	119.7285	48.936	2	120.5152	16.618	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:3:2:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:N-3:O-2:	N(PC[6a]NO)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)(NCC)2(OPd)	N(PC[6a]NO)(CCCH)2	C(CH3)2(NCP)(H)	P(C[6a]C[6a]2)(NCC)2(OPd)	121.7618	6.561	4	121.7618	43.049	4	121.7618	43.049	4	120.5152	16.618	20	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:3:4:3:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:B-4:N-3:	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(BH3)(NCC)	N(PC[6a]2B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[6a]C[6a]2)2(BH3)(NCC)	120.2665	0.589	2	120.2665	0.347	2	120.2665	0.347	2	120.2665	0.347	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	3:4:3:3:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:B-4:N-3:N-3:	N(PC[6a]BN)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[6a]C[6a]2)(BH3)(NCC)2	N(PC[6a]BN)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[6a]C[6a]2)(BH3)(NCC)2	119.7300	2.550	2	119.7300	6.502	2	119.7300	6.502	2	119.7300	6.502	2	120.9343	9.188	656	120.9343	9.188	656
956	490	992	0:SP3_SP3_SP3	N	C	P	4:4:4:	4:4:3:1:	4:3:4:3:	P-4:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5]-4:C[6a]-3:B-4:N-3:	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	N(PC[6a]C[5]B)(CCCH)(CH3)	C(CC[6a]HO)(CH3)(NCP)(H)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)(NCC)	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	120.9343	9.188	656	120.9343	9.188	656
956	490	996	0:SP2_SP3_SP3	N	C	Si[4,5]	4:3:4:	3:4:4:4:	5:3:4:3:	Si[4,5]-4:C-3:C-4:	N-3:C-4:C-4:C-4:	Si[4,4,5]-5:C[5,6a]-3:C[4]-4:N-3:	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	C(NSi[4,5]C)(CH3)3	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC)	N(Si[4,5]Si[4,4,5]C[5,6a]C[4])(CC[6a]N)(CC3)	C(NSi[4,5]C)(CH3)3	Si[4,5](Si[4,4,5]C[5,6a]N[4]2O[4])(C[5,6a]C[5,6a,6a]C[6a])(C[4]C[6a]2O[4])(NCC){1|H<1>,2|C<4>,8|C<3>}	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	127.4427	28.288	10
956	490	996	0:SP2_SP3_SP3	N	C	Si[4]	4:3:4:	3:4:4:4:	2:2:4:3:	Si[4]-4:C-3:C-4:	N-3:C-4:C-4:C-4:	O[4]-2:O[4]-2:C-4:N-3:	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](O[4]Si[4])2(CC3)(NCC)	N(Si[4]O[4]2C)(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](O[4]Si[4])2(CC3)(NCC){1|C<4>,1|N<3>}	135.6490	0.000	1	135.6490	0.000	1	135.6490	0.000	1	135.6490	0.000	1	127.8489	29.968	9	127.4427	28.288	10
956	490	996	0:SP2_SP3_SP3	N	C	Si[4]	4:3:4:	3:4:4:4:	3:3:4:3:	Si[4]-4:P-3:C-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:C-4:N-3:	N(Si[4]N[4]2C)(PCl2)(CC3)	C(NSi[4]P)(CH3)3	Si[4](N[4]Si[4]C)2(CH3)(NCP)	N(Si[4]N[4]2C)(PCl2)(CC3)	C(NSi[4]P)(CH3)3	Si[4](N[4]Si[4]C)2(CH3)(NCP){1|C<4>,1|N<3>}	124.8190	0.000	1	124.8190	0.000	1	124.8190	0.000	1	124.8190	0.000	1	127.8489	29.968	9	127.4427	28.288	10
956	490	996	0:SP2_SP3_SP3	N	C	Si[4]	4:3:4:	3:4:4:4:	4:3:2:3:	Si[4]-4:C-3:C-4:	N-3:C-4:C-4:C-4:	C[5]-4:C[4]-3:O[4]-2:N-3:	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC)	N(Si[4]C[4]C[5]O[4])(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](C[5]C[5]2Fe)(C[4]Si[4]C)(O[4]Si[4])(NCC){1|N<3>,2|H<1>,3|C<4>}	133.9070	0.000	1	133.9070	0.000	1	133.9070	0.000	1	128.9610	48.926	2	127.8489	29.968	9	127.4427	28.288	10
956	490	996	0:SP2_SP3_SP3	N	C	Si[4]	4:3:4:	3:4:4:4:	4:3:2:3:	Si[4]-4:C-3:C-4:	N-3:C-4:C-4:C-4:	Si[4,6,6]-4:C[6a]-3:O[4]-2:N-3:	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC)	N(Si[4]Si[4,6,6]C[6a]O[4])(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](Si[4,6,6]Si[4,3x6]Si[4,4]C[3x6])(C[6a]C[6,6a]C[6a])(O[4]Si[4,4])(NCC){1|Si<4>,1|Si<5>,1|C<4>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	124.0150	0.000	1	124.0150	0.000	1	124.0150	0.000	1	128.9610	48.926	2	127.8489	29.968	9	127.4427	28.288	10
956	490	996	0:SP2_SP3_SP3	N	C	Si[4]	4:3:4:	3:4:4:4:	5:3:3:1:	Si[4]-4:C-3:C-4:	N-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:N-3:Cl-1:	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl)	N(Si[4]Si[4,4]C[4]Cl)(CC[6a]N)(CC3)	C(NSi[4]C)(CH3)3	Si[4](Si[4,4]C[4]N[4]2Cl)(C[4]C[6a]C[4])(NCC)(Cl){2|C<4>,4|C<3>}	134.6900	0.000	1	134.6900	0.000	1	134.6900	0.000	1	134.6900	0.000	1	127.8489	29.968	9	127.4427	28.288	10
956	490	996	0:SP2_SP3_SP3	N	C	Si[4]	4:4:4:	3:1:1:1:	3:3:3:1:	Si[4]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:Se-1:	N(Si[4]N[4]2Se)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC)(Se)	N(Si[4]N[4]2Se)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC)(Se){5|C<3>}	124.4545	2.450	2	124.4545	6.003	2	124.4545	6.003	2	124.4545	6.003	2	127.8489	29.968	9	127.4427	28.288	10
956	490	996	0:SP2_SP3_SP3	N	C	Si[4]	4:4:4:	3:1:1:1:	3:3:3:2:	Si[4]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:N-2:	N(Si[4]N[4]2N)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC)(NSi)	N(Si[4]N[4]2N)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC)(NSi){5|C<3>}	124.3255	4.201	2	124.3255	17.648	2	124.3255	17.648	2	124.3255	17.648	2	127.8489	29.968	9	127.4427	28.288	10
956	490	996	0:SP3_SP3_SP3	N	C	Si[4,5]	4:3:4:	3:4:4:4:	3:4:3:3:	Si[4,5]-4:C-3:C-4:	N-3:C-4:C-4:C-4:	C[5,6a]-3:Si[4,5]-4:C[4]-3:N-3:	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	C(NSi[4,5]C)(CH3)3	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC)	N(Si[4,5]C[5,6a]Si[4,5]C[4])(CC[6a]N)(CC3)	C(NSi[4,5]C)(CH3)3	Si[4,5](C[5,6a]C[5,6a,6a]C[6a])(Si[4,5]C[5,6a]C[4]N)(C[4]C[6a]C[4])(NCC){1|H<1>,6|C<3>}	127.7750	0.000	1	127.7750	0.000	1	127.7750	0.000	1	127.7750	0.000	1	127.7750	0.000	1	128.0136	43.189	7
956	490	996	0:SP3_SP3_SP3	N	C	Si[4]	4:3:4:	3:4:4:1:	3:3:4:3:	Si[4]-4:C-3:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:C-4:N-3:	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	C(NSi[4]C)(CH3)2(H)	Si[4](N[4]C[4]C)2(CCHH)(NCC)	N(Si[4]N[4]2C)(CC[6a]N)(CCCH)	C(NSi[4]C)(CH3)2(H)	Si[4](N[4]C[4]C)2(CCHH)(NCC){1|C<3>,1|C<4>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	128.0533	51.814	6	128.0136	43.189	7
956	490	996	0:SP3_SP3_SP3	N	C	Si[4]	4:3:4:	3:4:4:4:	3:3:4:3:	Si[4]-4:P-3:C-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:C-4:N-3:	N(Si[4]N[4]2C)(PCl2)(CC3)	C(NSi[4]P)(CH3)3	Si[4](N[4]Si[4]C)2(CH3)(NCP)	N(Si[4]N[4]2C)(PCl2)(CC3)	C(NSi[4]P)(CH3)3	Si[4](N[4]Si[4]C)2(CH3)(NCP){1|C<4>,1|N<3>}	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	124.3390	0.000	1	128.0533	51.814	6	128.0136	43.189	7
956	490	996	0:SP3_SP3_SP3	N	C	Si[4]	4:4:1:	3:4:4:4:	3:3:4:3:	Si[4]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:C-4:N-3:	N(Si[4]N[4]2C)(CC3)(H)	C(NSi[4]H)(CH3)3	Si[4](N[4]Si[4]C)2(CH3)(NCH)	N(Si[4]N[4]2C)(CC3)(H)	C(NSi[4]H)(CH3)3	Si[4](N[4]Si[4]C)2(CH3)(NCH){1|C<4>,1|N<3>}	136.9800	0.000	2	136.9800	0.000	2	136.9800	0.000	2	136.9800	0.000	2	128.0533	51.814	6	128.0136	43.189	7
956	490	996	0:SP3_SP3_SP3	N	C	Si[4]	4:4:4:	3:1:1:1:	3:3:3:2:	Si[4]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:N-2:	N(Si[4]N[4]2N)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC)(NSi)	N(Si[4]N[4]2N)(CH3)2	C(NSi[4]C)(H)3	Si[4](N[4]C[6a]C[4])2(NCC)(NSi){5|C<3>}	124.2315	3.808	2	124.2315	14.499	2	124.2315	14.499	2	124.2315	14.499	2	128.0533	51.814	6	128.0136	43.189	7
956	530	951	0:SP3_SP-NON_SPD6	N	Ga	H	6:1:1:	4:3:3:2:2:1:	3:	Ga-6:H-1:H-1:	N-4:N-3:N-3:N-2:N-2:Cl-1:	N-3:	N(GaClN4)(H)2	Ga(NH3)(NHH)2(NH)2(Cl)	H(NGaH)	N(GaClN4)(H)2	Ga(NH3)(NHH)2(NH)2(Cl)	H(NGaH)	113.4890	0.484	2	113.4890	0.234	2	113.4890	0.234	2	113.4890	0.234	2	113.4890	0.234	2	113.4890	0.234	2
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H)	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H){2|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NN[5]H){1|H<1>,3|C<3>}	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	118.2458	2.670	4	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN[5]H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	120.5320	0.000	1	120.5320	0.000	1	118.7070	2.729	3	118.2458	2.670	4	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN[5]H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H){2|C<3>}	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	117.7945	0.680	2	117.7945	0.462	2	118.7070	2.729	3	118.2458	2.670	4	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:1:	4:3:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H){2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NN[5]H){1|C<3>,1|F<1>,1|H<1>}	118.8270	0.000	1	118.8270	0.000	1	117.6427	1.120	3	117.6427	1.120	3	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:1:	4:3:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN[5]H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H){2|C<3>}	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	117.0505	0.368	2	117.0505	0.136	2	117.6427	1.120	3	117.6427	1.120	3	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	115.4785	0.257	2	115.4785	0.066	2	116.1747	1.494	4	116.1747	1.494	4	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C[6a](C[6a]C[6a]O[6a])(C[6a]C[6a,6a]O)(NN[5]C){4|C<3>}	117.9840	0.000	1	117.9840	0.000	1	116.1747	1.494	4	116.1747	1.494	4	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(NC[6a]C){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	115.7580	0.000	1	115.7580	0.000	1	116.1747	1.494	4	116.1747	1.494	4	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP2	N	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	116.5260	0.000	1	117.2613	2.210	12	117.2613	2.210	12
956	542	643	0:SP2_SP2_SP3	N	N[5]	C[6a]	3:3:1:	4:4:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HO)2(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HO)2(NC[6a]H){2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NN[5]H){1|C<3>,2|H<1>}	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	119.8710	4.700	2	119.8710	4.700	2
956	542	643	0:SP2_SP2_SP3	N	N[5]	C[6a]	3:3:3:	4:3:3:	3:3:3:	N[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C){2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	118.3380	0.000	1	118.3380	0.000	1	118.3380	0.000	1	118.3380	0.000	1	119.8710	4.700	2	119.8710	4.700	2
956	542	643	0:SP3_SP2_SP2	N	N[5]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN[5]H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H){2|C<3>}	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	115.8910	0.000	1	115.8910	0.000	1	115.5245	0.269	2	115.5245	0.269	2	115.9738	2.351	5	115.9738	2.351	5
956	542	643	0:SP3_SP2_SP2	N	N[5]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NN[5]H)	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(NC[6a]H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NN[5]H){1|C<3>,2|H<1>}	115.1580	0.000	1	115.1580	0.000	1	115.5245	0.269	2	115.5245	0.269	2	115.9738	2.351	5	115.9738	2.351	5
956	542	643	0:SP3_SP2_SP2	N	N[5]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:N[5]-3:C-4:	C[5]-3:C[5]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(C[6a]C[6a]2)(N[5]C[5]2)(CH3)	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	114.3280	0.000	1	115.9738	2.351	5	115.9738	2.351	5
956	542	643	0:SP3_SP2_SP2	N	N[5]	C[6a]	3:3:4:	3:4:3:	3:3:3:	N[5]-3:C[6a]-3:C-4:	C[5]-3:B[5]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NN[5]C)	N(N[5]B[5]C[5])(C[6a]C[6a]2)(CH3)	N[5](C[5]C[5,6a]C[6a])(B[5]C[5,6a]OO)(NC[6a]C){4|C<3>}	C[6a](C[6a]C[6a]H)2(NN[5]C){1|C<3>,2|H<1>}	118.4260	0.000	1	118.4260	0.000	1	118.4260	0.000	1	118.4260	0.000	1	115.9738	2.351	5	115.9738	2.351	5
956	542	643	0:SP3_SP2_SP2	N	N[5]	C[6a]	3:3:4:	4:3:3:	3:2:3:	C[6a]-3:N[5]-3:C-4:	C[5,5]-4:C[5]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C)	N(C[6a]C[6a]N[6a])(N[5]C[5,5]C[5])(CH3)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(NC[6a]C){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NN[5]C){1|C<3>,2|H<1>}	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	115.9738	2.351	5	115.9738	2.351	5
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	3:4:3:	3:	N[5]-3:O-1:O-1:	C[5,6a]-3:C[5]-4:N-3:	N-3:	N(N[5]C[5,6a]C[5])(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO)	O(NN[5]O)	N(N[5]C[5,6a]C[5])(O)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NOO){2|C<3>,3|H<1>}	O(NN[5]O)	117.6900	1.926	6	117.6900	3.711	6	117.6900	3.711	6	117.6900	3.711	6	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[3,5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[3,5]C[5])(O)2	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	O(NN[5]O)	N(N[5]C[3,5]C[5])(O)2	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	O(NN[5]O)	116.3705	1.286	4	116.3705	1.654	4	116.3705	1.654	4	116.6149	1.843	20	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[4,5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[4,5]C[5])(O)2	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO)	O(NN[5]O)	N(N[5]C[4,5]C[5])(O)2	N[5](C[4,5]C[4,5]C[4]C)(C[5]N[5]O)(NOO){1|N<3>,2|C<4>,2|H<1>}	O(NN[5]O)	116.5635	1.683	4	116.5635	2.832	4	116.5635	2.832	4	116.6149	1.843	20	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[5,5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(NOO)	O(NN[5]O)	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(NOO){1|C<4>,2|H<1>,2|N<3>}	O(NN[5]O)	116.2300	2.191	2	116.2300	4.799	2	116.2300	4.799	2	116.6149	1.843	20	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO)	O(NN[5]O)	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO){2|C<4>,3|H<1>}	O(NN[5]O)	117.0940	0.799	2	117.0940	0.638	2	117.0940	0.638	2	116.6149	1.843	20	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(NOO)	O(NN[5]O)	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(NOO){1|C<4>,1|H<1>}	O(NN[5]O)	117.0162	0.477	4	117.0162	0.228	4	116.7391	2.142	8	116.6149	1.843	20	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(NOO)	O(NN[5]O)	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(NOO){3|H<1>}	O(NN[5]O)	116.8575	3.550	2	116.8575	12.605	2	116.7391	2.142	8	116.6149	1.843	20	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]HO)(C[5]N[5]C)(NOO)	O(NN[5]O)	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]HO)(C[5]N[5]C)(NOO){1|H<1>,1|O<2>}	O(NN[5]O)	116.0665	0.682	2	116.0665	0.466	2	116.7391	2.142	8	116.6149	1.843	20	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5,5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	O(NN[5]O)	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,2|H<1>,2|N<3>}	O(NN[5]O)	116.9415	0.291	2	116.9415	0.084	2	116.9415	0.084	2	117.0497	0.181	6	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5,6]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	O(NN[5]O)	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	O(NN[5]O)	116.7000	0.190	2	116.7000	0.036	2	116.7000	0.036	2	117.0497	0.181	6	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP2	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO)	O(NN[5]O)	N(N[5]C[5]2)(O)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO){4|H<1>}	O(NN[5]O)	117.5075	0.315	2	117.5075	0.099	2	117.5075	0.099	2	117.0497	0.181	6	116.8980	1.935	32	116.8980	1.935	32
956	542	863	0:SP2_SP2_SP3	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO)	O(NN[5]O)	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]C)(NOO){2|C<4>,3|H<1>}	O(NN[5]O)	116.6785	0.677	2	116.6785	0.458	2	116.9183	3.677	4	116.9183	3.677	4	116.3839	0.510	195	116.3839	0.510	195
956	542	863	0:SP2_SP2_SP3	N	N[5]	O	3:1:1:	4:3:3:	3:	N[5]-3:O-1:O-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(NOO)	O(NN[5]O)	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(NOO){1|C<4>,2|H<1>,2|N<3>}	O(NN[5]O)	117.1580	3.216	2	117.1580	10.342	2	116.9183	3.677	4	116.9183	3.677	4	116.3839	0.510	195	116.3839	0.510	195
956	542	863	0:SP2_SP2_SP3	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5,5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	O(NN[5]O)	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,3|N<3>}	O(NN[5]O)	116.9050	2.396	2	116.7172	1.509	10	116.6587	1.097	14	116.3727	0.456	191	116.3839	0.510	195	116.3839	0.510	195
956	542	863	0:SP2_SP2_SP3	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5,5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO)	O(NN[5]O)	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<4>,1|H<1>,3|N<3>}	O(NN[5]O)	116.6702	1.052	8	116.7172	1.509	10	116.6587	1.097	14	116.3727	0.456	191	116.3839	0.510	195	116.3839	0.510	195
956	542	863	0:SP2_SP2_SP3	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5,5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO)	O(NN[5]O)	N(N[5]C[5,5]C[5])(O)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	O(NN[5]O)	116.5125	0.434	4	116.5125	0.189	4	116.6587	1.097	14	116.3727	0.456	191	116.3839	0.510	195	116.3839	0.510	195
956	542	863	0:SP2_SP2_SP3	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5,6]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	O(NN[5]O)	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	O(NN[5]O)	116.5262	0.477	29	116.3501	0.405	177	116.3501	0.405	177	116.3727	0.456	191	116.3839	0.510	195	116.3839	0.510	195
956	542	863	0:SP2_SP2_SP3	N	N[5]	O	3:1:1:	4:4:3:	3:	N[5]-3:O-1:O-1:	C[5,6]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	O(NN[5]O)	N(N[5]C[5,6]C[5])(O)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<4>,2|H<1>,5|N<3>}	O(NN[5]O)	116.3155	0.659	148	116.3501	0.405	177	116.3501	0.405	177	116.3727	0.456	191	116.3839	0.510	195	116.3839	0.510	195
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:2:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:O-2:O-1:	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]O)2(NCH)	C(NN[5]H)(OC)(O)	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	C(NN[5]H)(OC)(O)	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	119.0250	0.000	1	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	C[5a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH)	C(C[5a]C[5a]S[5a])(NN[5]H)(O)	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH){3|H<1>}	C(C[5a]C[5a]S[5a])(NN[5]H)(O)	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]O)2(NCH)	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	C(C[6a]C[6a]N[6a])(NN[5]H)(O)	119.7525	1.718	2	119.7525	2.950	2	119.1090	2.078	4	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH){2|C<3>}	C(C[6a]C[6a]2)(NN[5]H)(O)	119.3680	0.000	1	118.4655	1.629	2	119.1090	2.078	4	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH){4|H<1>}	C(C[6a]C[6a]2)(NN[5]H)(O)	117.5630	0.000	1	118.4655	1.629	2	119.1090	2.078	4	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:C-3:O-1:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5,6a]O)2(NCH)	C(NN[5]H)(CCC)(O)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	C(NN[5]H)(CCC)(O)	119.2055	0.858	4	119.2055	0.736	4	119.2055	0.736	4	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:N-3:O-1:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(NCH)	C(NN[5]H)(NHH)(O)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	C(NN[5]H)(NHH)(O)	117.4330	0.000	1	117.4330	0.000	1	116.3005	2.565	2	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:N-3:O-1:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(NCH)	C(NN[5]H)2(O)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	C(NN[5]H)2(O)	115.1680	0.000	1	115.1680	0.000	1	116.3005	2.565	2	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:N-3:S-1:	N(N[5]C[5]2)(CNS)(H)	N[5](C[5]C[5,5,6]O)2(NCH)	C(NN[5]H)(NHH)(S)	N(N[5]C[5]2)(CNS)(H)	N[5](C[5]C[5,5,6]O)2(NCH){2|C<4>,2|H<1>}	C(NN[5]H)(NHH)(S)	122.2550	0.000	1	122.2550	0.000	1	122.2550	0.000	1	118.8033	3.464	12	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:4:3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:C-4:C-3:	N(N[5]C[5]2)(CCC)(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH)	C(NN[5]H)(CH3)(CCH)	N(N[5]C[5]2)(CCC)(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH){1|H<1>}	C(NN[5]H)(CH3)(CCH)	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	C-4:N-3:O-1:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(NCH)	C(CC[6a]CH)(NN[5]H)(O)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(NCH){2|H<1>}	C(CC[6a]CH)(NN[5]H)(O)	118.2380	0.000	1	118.2380	0.000	1	118.8625	0.780	2	118.8625	0.780	2	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	C-4:N-3:O-1:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH)	C(CC[6a]CH)(NN[5]H)(O)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH){1|H<1>,2|C<3>}	C(CC[6a]CH)(NN[5]H)(O)	119.4870	0.000	1	119.4870	0.000	1	118.8625	0.780	2	118.8625	0.780	2	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NN[5]H)(O)	118.7725	0.599	2	118.7725	0.359	2	119.6460	2.468	3	119.6460	2.468	3	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(NN[5]H)(O)	121.3930	0.000	1	121.3930	0.000	1	119.6460	2.468	3	119.6460	2.468	3	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:2:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:O-2:O-1:	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH)	C(NN[5]H)(OC)(O)	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	C(NN[5]H)(OC)(O)	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:4:1:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:C-4:O-1:	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	C(NN[5]H)(CHHO)(O)	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	C(NN[5]H)(CHHO)(O)	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:4:3:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:C-4:C-3:	N(N[5]C[5,6]C[5])(CCC)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	C(NN[5]H)(CH3)(CCH)	N(N[5]C[5,6]C[5])(CCC)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	C(NN[5]H)(CH3)(CCH)	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5,5,6]-4:N-3:O-1:	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(NCH)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(NCH){2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(NN[5]H)(O)	118.1810	0.000	1	118.1810	0.000	1	118.1810	0.000	1	119.7133	1.143	4	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C-4:N-3:O-1:	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH)	C(CC[5a]HH)(NN[5]H)(O)	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH){2|C<4>,6|H<1>}	C(CC[5a]HH)(NN[5]H)(O)	120.0150	0.188	2	120.0150	0.035	2	120.2240	0.149	3	119.7133	1.143	4	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C-4:N-3:O-1:	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH)	C(CC[6a]2O)(NN[5]H)(O)	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH){2|C<4>,6|H<1>}	C(CC[6a]2O)(NN[5]H)(O)	120.6420	0.000	1	120.6420	0.000	1	120.2240	0.149	3	119.7133	1.143	4	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C(NC[6a]N[5])(CCC)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C(NC[6a]N[5])(CCC)(O)	114.8340	0.000	1	114.8340	0.000	1	115.2270	0.309	2	115.6507	0.204	10	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(NC[6a]C)	C(NC[6a]N[5])(CCC)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(NC[6a]C){2|C<4>,2|H<1>}	C(NC[6a]N[5])(CCC)(O)	115.6200	0.000	1	115.6200	0.000	1	115.2270	0.309	2	115.6507	0.204	10	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	3:3:3:	3:3:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:N-3:	N-3:C-3:O-1:	N(N[5]C[5]2)(CCO)2	N[5](C[5]C[5,6a]O)2(NCC)	C(NN[5]C)(CCC)(O)	N(N[5]C[5]2)(CCO)2	N[5](C[5]C[5,6a]O)2(NCC){2|C<3>}	C(NN[5]C)(CCC)(O)	115.7566	0.393	8	115.7566	0.154	8	115.7566	0.154	8	115.6507	0.204	10	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C(NC[6a]N[5])(CCCH)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C(NC[6a]N[5])(CCCH)(O)	116.4770	0.000	1	116.4770	0.000	1	117.3450	1.507	2	116.6208	4.708	4	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:N[5]-3:C-3:	C[5]-3:C[5]-3:N-3:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C)	C(NC[6a]N[5])(CH3)(O)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(NC[6a]C){2|C<3>}	C(NC[6a]N[5])(CH3)(O)	118.2130	0.000	1	118.2130	0.000	1	117.3450	1.507	2	116.6208	4.708	4	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	3:3:3:	3:4:1:	N[5]-3:C-3:C-3:	C[5]-3:C[5]-3:N-3:	N-3:C-4:O-1:	N(N[5]C[5]2)(CCO)2	N[5](C[5]C[5,6,6]O)2(NCC)	C(NN[5]C)(CH3)(O)	N(N[5]C[5]2)(CCO)2	N[5](C[5]C[5,6,6]O)2(NCC){2|C<4>,2|H<1>}	C(NN[5]C)(CH3)(O)	115.8965	3.243	2	115.8965	10.520	2	115.8965	10.520	2	116.6208	4.708	4	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	4:3:3:	3:2:1:	N[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:N-3:	N-3:O-2:O-1:	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C)	C(NC[6a]N[5])(OC)(O)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C){2|C<3>,3|H<1>}	C(NC[6a]N[5])(OC)(O)	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	3:3:3:	4:3:3:	3:4:1:	N[5]-3:C-3:C-3:	C[5,6]-4:C[5]-3:N-3:	N-3:C-4:O-1:	N(N[5]C[5,6]C[5])(CCO)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCC)	C(NN[5]C)(CH3)(O)	N(N[5]C[5,6]C[5])(CCO)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCC){6|C<3>}	C(NN[5]C)(CH3)(O)	117.4265	2.949	2	117.4265	8.699	2	117.4265	8.699	2	117.4265	8.699	2	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP2	N	N[5]	C	4:3:3:	4:3:3:	3:4:1:	C[6]-4:N[5]-3:C-3:	C[5]-4:C[5]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]C)	C(NC[6]N[5])(CF3)(O)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]C){2|H<1>}	C(NC[6]N[5])(CF3)(O)	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	118.0800	5.456	44	118.0800	5.456	44
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NN[5]H)(O)	120.4207	0.388	3	120.4207	0.151	3	120.3226	1.913	5	120.3226	1.913	5	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	3:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(NN[5]H)(O)	120.1755	2.698	2	120.1755	7.277	2	120.3226	1.913	5	120.3226	1.913	5	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:N-3:S-1:	N(N[5]C[5,6]C[5])(CNS)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	C(NN[5]H)(NCH)(S)	N(N[5]C[5,6]C[5])(CNS)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	C(NN[5]H)(NCH)(S)	122.3360	0.000	1	122.3360	0.000	1	122.3360	0.000	1	119.7078	3.602	4	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NN[5]H)(O)	119.4430	0.000	1	119.4430	0.000	1	118.8317	0.797	3	119.7078	3.602	4	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH){2|C<3>}	C(C[6a]C[6a]2)(NN[5]H)(O)	119.2450	0.000	1	119.2450	0.000	1	118.8317	0.797	3	119.7078	3.602	4	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NN[5]H)(O)	117.8070	0.000	1	117.8070	0.000	1	118.8317	0.797	3	119.7078	3.602	4	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:3:3:	4:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C-4:N-3:O-1:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH)	C(CC[6a]HH)(NN[5]H)(O)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH){6|C<3>}	C(CC[6a]HH)(NN[5]H)(O)	124.6670	0.000	1	124.6670	0.000	1	124.6670	0.000	1	124.6670	0.000	1	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:4:3:	3:1:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:	N-3:H-1:O-1:	N(N[5]C[5]2)(CHO)(H)	N[5](C[5]C[6a]C[5]H)2(NCH)	C(NN[5]H)(H)(O)	N(N[5]C[5]2)(CHO)(H)	N[5](C[5]C[6a]C[5]H)2(NCH){4|C<3>,4|H<1>}	C(NN[5]H)(H)(O)	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	120.8460	0.000	1	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NN[5]H)(O)	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	121.3669	7.841	12	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:	C[6a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH)	C(C[6a]C[6a]2)(NN[5]H)(O)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH){1|C<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NN[5]H)(O)	121.0955	3.420	8	121.0955	11.694	8	121.0955	11.694	8	121.3669	7.841	12	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:1:	4:4:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:	N-3:N-3:O-1:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,5]HH)2(NCH)	C(NN[5]H)(NHS)(O)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,5]HH)2(NCH){2|C<4>,2|H<1>}	C(NN[5]H)(NHS)(O)	121.4537	0.253	3	121.4537	0.064	3	121.4537	0.064	3	121.3669	7.841	12	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:3:3:	4:3:3:	3:2:1:	N[5]-3:C[6a]-3:C-3:	C[5,5]-4:C[5]-3:N-3:	N-3:O-2:O-1:	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C)	C(NC[6a]N[5])(OC)(O)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NC[6a]C){2|C<3>,3|H<1>}	C(NC[6a]N[5])(OC)(O)	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	116.2820	0.000	1	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP2_SP2_SP3	N	N[5]	C	3:4:3:	4:4:3:	3:4:1:	N[5]-3:C-4:C-3:	C[5]-4:C[5]-4:N-3:	N-3:C-4:O-1:	N(N[5]C[5]2)(CCCH)(CCO)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)	C(NN[5]C)(CF3)(O)	N(N[5]C[5]2)(CCCH)(CCO)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC){4|H<1>}	C(NN[5]C)(CF3)(O)	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	120.6746	6.504	25	120.6746	6.504	25
956	542	930	0:SP3_SP2_SP2	N	N[5]	C	3:3:1:	3:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:N-3:O-1:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH)	C(NN[5]H)2(O)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH){1|C<4>}	C(NN[5]H)2(O)	116.4740	0.434	2	116.4740	0.188	2	116.4740	0.188	2	116.4740	0.188	2	116.8431	0.833	7	116.8431	0.833	7
956	542	930	0:SP3_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:2:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:O-2:O-1:	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH)	C(NN[5]H)(OC)(O)	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	C(NN[5]H)(OC)(O)	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	117.4040	0.000	1	116.8431	0.833	7	116.8431	0.833	7
956	542	930	0:SP3_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:N-3:	C[5a]-3:N-3:O-1:	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]O)(NCH)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]O)(NCH){2|C<4>,6|H<1>}	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	116.8875	1.405	4	116.8431	0.833	7	116.8431	0.833	7
956	542	930	0:SP3_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	C[5a]-3:N-3:O-1:	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH)	C(C[5a]C[5a]N[5a])(NN[5]H)(O)	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH){3|C<4>,5|H<1>}	C(C[5a]C[5a]N[5a])(NN[5]H)(O)	117.8370	0.000	1	117.8370	0.000	1	117.8370	0.000	1	116.8875	1.405	4	116.8431	0.833	7	116.8431	0.833	7
956	542	930	0:SP3_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	C[5a]-3:N-3:O-1:	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]S[5]CC)(C[5]C[5]O)(NCH)	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]S[5]CC)(C[5]C[5]O)(NCH){2|H<1>}	C(C[5a]N[5a,5a]C[5a])(NN[5]H)(O)	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	116.8875	1.405	4	116.8431	0.833	7	116.8431	0.833	7
956	542	930	0:SP3_SP2_SP2	N	N[5]	C	3:3:1:	4:3:3:	3:3:1:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:N-3:O-1:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH)	C(NC[6a]C)(NN[5]H)(O)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	C(NC[6a]C)(NN[5]H)(O)	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	116.8875	1.405	4	116.8431	0.833	7	116.8431	0.833	7
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]N[5])(NHH){1|Zn<6>}	H(NN[5]H)	104.5580	1.220	2	104.5580	1.490	2	107.3312	31.245	4	107.3312	31.245	4	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|C<4>}	H(NN[5]H)	110.1045	7.841	2	110.1045	61.483	2	107.3312	31.245	4	107.3312	31.245	4	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH){1|Cd<5>,1|Cd<6>}	H(NN[5]H)	120.0360	0.038	2	120.0120	0.001	4	120.0120	0.001	4	120.0120	0.001	4	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH){1|Ni<6>}	H(NN[5]H)	119.9880	0.025	2	120.0120	0.001	4	120.0120	0.001	4	120.0120	0.001	4	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H)	H(NC[6a]N[5])	N(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H){2|C<3>}	H(NC[6a]N[5])	115.5360	0.000	1	115.5360	0.000	1	112.5557	13.377	4	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]O)(NC[6a]H){2|C<4>,2|H<1>}	H(NC[6a]N[5])	113.8560	0.000	1	113.8560	0.000	1	112.5557	13.377	4	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H){2|C<3>}	H(NC[6a]N[5])	110.4155	4.516	2	110.4155	20.397	2	112.5557	13.377	4	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CCC)(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CCC)(H)	N[5](C[5]N[5]C)(C[5]N[5]S)(NCH){1|H<1>}	H(NN[5]C)	118.4920	0.000	1	118.4920	0.000	1	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5,6a]O)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	H(NN[5]C)	120.3877	0.454	4	120.3877	0.206	4	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[5]O)(C[5]S[5]O)(NCH){2|H<1>}	H(NN[5]C)	116.9690	0.000	1	116.9690	0.000	1	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NCH){1|H<1>,2|C<3>}	H(NN[5]C)	120.2510	0.000	1	120.2510	0.000	1	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]C[5]O)(C[5]N[5]S)(NCH){3|H<1>}	H(NN[5]C)	115.1640	0.000	1	115.1640	0.000	1	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]O)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	H(NN[5]C)	120.1165	0.878	2	120.1165	0.770	2	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH){2|C<3>}	H(NN[5]C)	120.2830	0.000	1	120.7380	0.414	2	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5]O)2(NCH){4|H<1>}	H(NN[5]C)	121.1930	0.000	1	120.7380	0.414	2	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	H(NN[5]C)	117.0570	5.999	2	117.0570	35.989	2	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CNS)(H)	N[5](C[5]C[5,5,6]O)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CNS)(H)	N[5](C[5]C[5,5,6]O)2(NCH){2|C<4>,2|H<1>}	H(NN[5]C)	118.8630	0.000	1	118.8630	0.000	1	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]O)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]O)2(NCH){2|C<3>}	H(NN[5]C)	120.5450	0.000	1	120.5450	0.000	1	119.2286	5.587	16	117.8940	14.023	20	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	N-3:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	H(NN[5]C)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	H(NN[5]C)	117.7450	1.585	2	117.7450	2.513	2	114.0663	41.854	3	114.0663	41.854	3	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	N-3:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	H(NN[5]C)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	H(NN[5]C)	106.7090	0.000	1	106.7090	0.000	1	114.0663	41.854	3	114.0663	41.854	3	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NC[6a]H){2|C<3>}	H(NC[6a]N[5])	113.6440	5.061	3	113.6440	25.612	3	113.6440	25.612	3	118.9377	24.830	10	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5,5]C[5])(CC[5,5,6]O)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]O)(NCH){2|C<4>,3|H<1>}	H(NN[5]C)	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	118.9377	24.830	10	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(CCC)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCC)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	H(NN[5]C)	123.3340	0.000	1	123.3340	0.000	1	121.4914	12.589	5	118.9377	24.830	10	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	H(NN[5]C)	126.6420	0.000	1	126.6420	0.000	1	121.4914	12.589	5	118.9377	24.830	10	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCO)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH){2|C<4>,6|H<1>}	H(NN[5]C)	119.1603	1.437	3	119.1603	2.065	3	121.4914	12.589	5	118.9377	24.830	10	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	H(NN[5]C)	120.0650	0.000	1	120.0650	0.000	1	120.0650	0.000	1	118.9377	24.830	10	117.0446	28.921	41	117.0446	28.921	41
956	542	951	0:SP2_SP-NON_SP3	N	N[5,5]	H	3:4:1:	4:4:3:	3:	N[5,5]-3:S-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	N-3:	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2C)(NHS)	H(NN[5,5]S)	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2C)(NHS){1|C<3>,6|H<1>}	H(NN[5,5]S)	121.0460	0.000	3	121.0460	0.000	3	121.0460	0.000	3	121.0460	0.000	3	121.0460	0.000	3	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5,6]	H	3:4:1:	4:4:3:	3:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	N-3:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS)	H(NN[5,6]S)	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,1|C<4>,6|H<1>}	H(NN[5,6]S)	122.6940	0.294	6	122.6940	0.086	6	122.6940	0.086	6	122.6940	0.086	6	122.6940	0.086	6	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	N-3:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH)	H(NN[5]C)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(NCH){2|C<3>,3|H<1>}	H(NN[5]C)	117.8243	0.312	3	117.8243	0.098	3	118.6608	1.795	5	118.6608	1.795	5	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	3:4:3:	3:	N[5]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:N-3:	N-3:	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH)	H(NN[5]C)	N(N[5]C[5,6a]C[5])(CC[6a]O)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(NCH){2|H<1>,5|C<3>}	H(NN[5]C)	119.9155	1.319	2	119.9155	1.739	2	118.6608	1.795	5	118.6608	1.795	5	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(CNS)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CNS)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	H(NN[5]C)	118.8220	0.000	1	118.8220	0.000	1	118.8220	0.000	1	116.8102	7.673	5	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CCO)(H)	N[5](C[5]C[6a]2O[5])(C[5]C[6a]N[5])(NCH){6|C<3>}	H(NN[5]C)	114.9340	0.000	1	114.9340	0.000	1	116.3072	8.544	4	116.8102	7.673	5	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]N[5]S)(NCH){1|H<1>,4|C<3>}	H(NN[5]C)	116.2050	0.000	1	116.2050	0.000	1	116.3072	8.544	4	116.8102	7.673	5	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(NCH){2|C<3>}	H(NN[5]C)	120.4100	0.000	1	120.4100	0.000	1	116.3072	8.544	4	116.8102	7.673	5	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(NCH){2|C<3>,2|H<1>}	H(NN[5]C)	113.6800	0.000	1	113.6800	0.000	1	116.3072	8.544	4	116.8102	7.673	5	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:4:3:	3:	C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HO)2(NC[6a]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HO)2(NC[6a]H){2|C<3>}	H(NC[6a]N[5])	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	119.4535	1.872	14	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH)	H(NN[5]C)	N(N[5]C[5,5]C[5])(CC[6a]O)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH){2|C<3>,2|C<4>,2|H<1>}	H(NN[5]C)	118.3310	0.000	1	118.3310	0.000	1	118.3310	0.000	1	119.4535	1.872	14	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[6a]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH){1|C<2>,2|H<1>,3|C<3>}	H(NN[5]C)	119.4805	1.729	8	119.4805	2.990	8	119.5619	2.083	12	119.4535	1.872	14	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5]2)(CHO)(H)	N[5](C[5]C[6a]C[5]H)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CHO)(H)	N[5](C[5]C[6a]C[5]H)2(NCH){4|C<3>,4|H<1>}	H(NN[5]C)	119.5140	0.000	1	119.5140	0.000	1	119.5619	2.083	12	119.4535	1.872	14	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP2_SP-NON_SP3	N	N[5]	H	3:3:1:	4:4:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N-3:	N-3:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,5]HH)2(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,5]HH)2(NCH){2|C<4>,2|H<1>}	H(NN[5]C)	119.7950	0.938	3	119.7950	0.880	3	119.5619	2.083	12	119.4535	1.872	14	118.7377	3.826	24	119.6668	5.307	33
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	2:2:3:	3:	N[5]-3:H-1:H-1:	N[5]-2:N[5]-2:N-3:	N-3:	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Fe<6>,1|H<1>}	H(NN[5]H)	105.8216	1.182	12	106.1133	2.135	34	106.1133	2.135	34	106.1133	2.135	34	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	2:2:3:	3:	N[5]-3:H-1:H-1:	N[5]-2:N[5]-2:N-3:	N-3:	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Mn<6>,1|H<1>}	H(NN[5]H)	105.8052	2.207	6	106.1133	2.135	34	106.1133	2.135	34	106.1133	2.135	34	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	2:2:3:	3:	N[5]-3:H-1:H-1:	N[5]-2:N[5]-2:N-3:	N-3:	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH){1|Zn<6>,1|H<1>}	H(NN[5]H)	106.0872	1.350	12	106.1133	2.135	34	106.1133	2.135	34	106.1133	2.135	34	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	2:2:3:	3:	N[5]-3:H-1:H-1:	N[5]-2:N[5]-2:N-3:	N-3:	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH){2|C<4>}	H(NN[5]H)	107.6575	0.080	2	106.1133	2.135	34	106.1133	2.135	34	106.1133	2.135	34	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	2:2:3:	3:	N[5]-3:H-1:H-1:	N[5]-2:N[5]-2:N-3:	N-3:	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]N[5]2)(H)2	N[5](N[5]C[5])(N[5]N[5])(NHH){2|H<1>}	H(NN[5]H)	107.4000	0.986	2	106.1133	2.135	34	106.1133	2.135	34	106.1133	2.135	34	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|C<4>,1|H<1>}	H(NN[5]H)	108.3053	2.624	10	108.2258	7.764	16	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH){1|H<1>,1|N<3>}	H(NN[5]H)	108.9838	3.785	4	108.2258	7.764	16	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]C[5]H)(N[5]N[5])(NHH){2|H<1>}	H(NN[5]H)	106.3125	1.348	2	108.2258	7.764	16	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]C)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]C)(N[5]N[5])(NHH){1|C<4>}	H(NN[5]H)	106.4800	2.528	4	106.4800	6.389	4	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]C[5])(NHH){2|H<1>}	H(NN[5]H)	104.3305	0.921	2	104.3305	0.849	2	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]H)(N[5]N[5])(NHH){1|Zn<6>}	H(NN[5]H)	103.1062	5.548	4	103.1062	30.780	4	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|C<4>}	H(NN[5]H)	106.5010	4.113	10	106.5015	7.820	30	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|Cd<6>}	H(NN[5]H)	105.7623	2.452	6	106.5015	7.820	30	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|H<1>}	H(NN[5]H)	106.8139	1.534	12	106.5015	7.820	30	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]N)(N[5]N[5])(NHH){1|Zn<6>}	H(NN[5]H)	106.8465	3.729	2	106.5015	7.820	30	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]O)(N[5]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]N[5]O)(N[5]N[5])(NHH)	H(NN[5]H)	108.6539	1.273	12	108.6539	1.620	12	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:2:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N-3:	N(N[5]C[5]N[5])(H)2	N[5](C[5]O[5]N)(N[5]C[5])(NHH)	H(NN[5]H)	N(N[5]C[5]N[5])(H)2	N[5](C[5]O[5]N)(N[5]C[5])(NHH){1|C<3>}	H(NN[5]H)	105.0457	0.894	4	105.0457	0.799	4	106.9124	8.885	72	106.9124	8.885	72	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5,5a]C[5])(H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH)	H(NN[5]H)	N(N[5]C[5,5a]C[5])(H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]H)(NHH){1|C<3>,1|N<3>}	H(NN[5]H)	106.1448	1.508	4	106.1448	2.273	4	108.5368	10.176	10	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5,5a]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5,5a]C[5])(H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5,5a]C[5])(H)2	N[5](C[5,5a]N[5,5a]N[5a])(C[5]N[5]N)(NHH){1|C<3>,1|N<3>}	H(NN[5]H)	110.1315	3.054	6	110.1315	9.325	6	108.5368	10.176	10	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]N[5]O)(NHH){1|H<1>,2|C<4>}	H(NN[5]H)	107.1037	1.377	6	107.1037	1.896	6	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O)2(NHH){2|C<3>}	H(NN[5]H)	109.3225	0.547	2	109.3225	0.299	2	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH){1|H<1>,1|N<3>}	H(NN[5]H)	105.9573	0.640	6	106.0468	0.474	8	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]H)(C[5]N[5]H)(NHH){2|H<1>}	H(NN[5]H)	106.3150	1.037	2	106.0468	0.474	8	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]N[5]N)(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NN[5]H)	107.7116	2.273	38	107.7116	5.168	38	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]N)(NHH){1|C<3>}	H(NN[5]H)	106.2730	5.612	2	106.2730	31.490	2	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH){1|C<3>,1|C<4>,1|H<1>}	H(NN[5]H)	110.3965	2.831	2	108.3765	6.127	6	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]N[5]O)(NHH){1|H<1>,2|C<3>}	H(NN[5]H)	107.3665	1.860	4	108.3765	6.127	6	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]O)(C[5]S[5]S)(NHH){2|H<1>}	H(NN[5]H)	106.8118	3.479	4	106.8118	12.105	4	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NN[5]H)	110.3205	1.057	2	109.0472	2.400	10	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|C<3>,1|H<1>,1|N<3>}	H(NN[5]H)	110.0905	0.687	2	109.0472	2.400	10	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5a]N[5])(C[5]N[5]N)(NHH){1|H<1>,1|N<2>,1|N<3>}	H(NN[5]H)	108.2750	1.484	6	109.0472	2.400	10	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])(C[5]N[5]H)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])(C[5]N[5]H)(NHH){2|Cu<5>,1|C<3>,1|N<3>}	H(NN[5]H)	103.6865	3.965	2	103.6865	15.719	2	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	H(NN[5]H)	105.5565	1.379	4	105.5565	1.902	4	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])2(NHH){1|Mn<6>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	109.0600	0.365	2	108.3787	5.721	4	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6]N[5])2(NHH){2|Ag<4>,2|C<3>,2|N<3>}	H(NN[5]H)	107.6975	3.895	2	108.3787	5.721	4	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	104.6683	1.830	4	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	105.5763	2.231	32	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	99.6120	4.715	2	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	104.2698	3.280	136	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Hg<5>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	105.6125	3.181	2	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Mn<6>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	105.7135	2.756	4	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Ni<6>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	103.3495	3.299	2	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Zn<5>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	104.3725	1.300	2	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[6]N[5])(NHH){1|Zn<6>,1|N<2>,1|N<3>,2|C<3>}	H(NN[5]H)	103.9140	1.261	2	104.4859	9.677	186	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|C<4>,2|C<3>}	H(NN[5]H)	105.3593	1.262	6	109.2378	34.024	20	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|H<1>,2|C<3>}	H(NN[5]H)	109.3805	5.356	12	109.2378	34.024	20	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]N[5]S)(NHH){1|Sn<4>,2|C<3>}	H(NN[5]H)	120.0170	0.048	2	109.2378	34.024	20	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])2(NHH){1|Zn<4>,4|C<3>}	H(NN[5]H)	105.9294	4.274	8	105.9294	18.271	8	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(C[5]N[5]N)(NHH){1|H<1>}	H(NN[5]H)	107.4452	4.477	24	107.4452	20.044	24	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|C<4>}	H(NN[5]H)	105.8702	2.614	10	106.6338	5.786	34	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)(C[5]N[5]S)(NHH){1|H<1>}	H(NN[5]H)	106.9520	2.295	24	106.6338	5.786	34	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH){1|Cd<5>,1|Cd<6>}	H(NN[5]H)	120.0435	0.008	2	114.7292	59.422	11	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH){1|Ni<6>}	H(NN[5]H)	119.9870	0.126	2	114.7292	59.422	11	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH){2|Co<4>}	H(NN[5]H)	119.9860	0.000	1	114.7292	59.422	11	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH){2|Ni<6>}	H(NN[5]H)	119.9830	0.059	2	114.7292	59.422	11	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]C)2(NHH){2|Zn<4>}	H(NN[5]H)	105.5021	4.436	4	114.7292	59.422	11	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|Co<6>}	H(NN[5]H)	110.4070	0.754	2	107.6981	4.430	46	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|H<1>}	H(NN[5]H)	107.3650	2.037	32	107.6981	4.430	46	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|Mn<6>}	H(NN[5]H)	105.9215	1.235	2	107.6981	4.430	46	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|Ni<6>}	H(NN[5]H)	109.2535	0.163	2	107.6981	4.430	46	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|Zn<4>}	H(NN[5]H)	107.0375	5.247	2	107.6981	4.430	46	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){1|Zn<6>}	H(NN[5]H)	108.1985	1.105	2	107.6981	4.430	46	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)(C[5]N[5]N)(NHH){2|Ni<6>}	H(NN[5]H)	109.1988	0.163	4	107.6981	4.430	46	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH){1|C<4>}	H(NN[5]H)	105.5411	4.251	18	109.0216	20.444	149	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH){1|H<1>}	H(NN[5]H)	108.1736	2.532	20	109.0216	20.444	149	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH){1|Sn<6>}	H(NN[5]H)	108.3245	2.191	2	109.0216	20.444	149	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH){2|Cd<6>}	H(NN[5]H)	106.3525	8.873	2	109.0216	20.444	149	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]H)2(NHH){2|Fe<6>}	H(NN[5]H)	109.8285	4.552	107	109.0216	20.444	149	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]N)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]N)2(NHH){1|C<3>}	H(NN[5]H)	107.8375	0.388	2	107.9305	0.960	8	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]N)2(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5]N)2(NHH){1|H<1>}	H(NN[5]H)	107.9615	1.144	6	107.9305	0.960	8	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	3:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]N[5a]N[5])(C[5]N[5]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NN[5]H)	106.1715	1.067	2	106.1715	1.139	2	107.0614	17.671	574	107.0867	17.561	584	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:H-1:	C[5,5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NHH)	H(NN[5]H)	N(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(NHH){1|C<4>,1|O<2>,3|H<1>}	H(NN[5]H)	119.9570	0.000	1	119.9570	0.000	1	119.9570	0.000	1	107.9891	47.652	19	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NHH)	H(NN[5]H)	N(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NHH){6|C<3>}	H(NN[5]H)	108.3792	2.535	6	108.3792	6.426	6	108.3792	6.426	6	107.9891	47.652	19	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(NHH)	H(NN[5]H)	N(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(NHH){1|C<3>,1|H<1>}	H(NN[5]H)	103.6785	1.558	2	103.6785	2.427	2	103.6785	2.427	2	107.9891	47.652	19	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:H-1:	Ge[5]-4:C[5]-3:N-3:	N-3:	N(N[5]Ge[5]C[5])(H)2	N[5](Ge[5]C[5]Te2)(C[5]C[5]C)(NHH)	H(NN[5]H)	N(N[5]Ge[5]C[5])(H)2	N[5](Ge[5]C[5]Te2)(C[5]C[5]C)(NHH){2|C<4>,2|H<1>}	H(NN[5]H)	107.1420	9.514	8	107.1420	90.518	8	107.1420	90.518	8	107.9891	47.652	19	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:1:1:	4:3:3:	3:	N[5]-3:H-1:H-1:	Si[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]Si[5,6]C[5])(H)2	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH)	H(NN[5]H)	N(N[5]Si[5,6]C[5])(H)2	N[5](Si[5,6]C[5,6]N[6]2)(C[5]C[5,6]C[6a])(NHH){1|H<1>,8|C<3>}	H(NN[5]H)	108.5340	1.380	2	108.5340	1.905	2	108.5340	1.905	2	107.9891	47.652	19	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(NC[6a]H){2|C<3>}	H(NC[6a]N[5])	107.7480	0.000	1	107.7480	0.000	1	108.7905	2.174	2	112.8685	23.040	4	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[5]-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(NC[6a]H)	H(NC[6a]N[5])	N(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(NC[6a]H){2|C<4>,2|H<1>}	H(NC[6a]N[5])	109.8330	0.000	1	109.8330	0.000	1	108.7905	2.174	2	112.8685	23.040	4	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	3:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]N[5]H)(C[5]N[5]S)(NCH){1|C<4>}	H(NN[5]C)	116.9465	0.653	2	116.9465	0.426	2	116.9465	0.426	2	112.8685	23.040	4	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5,5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5,5]C[5])(CC[5a]O)(H)	N[5](C[5,5]C[5]2S[5])(C[5]C[5]O)(NCH){2|C<4>,6|H<1>}	H(NN[5]C)	112.7950	0.000	1	112.7950	0.000	1	112.7950	0.000	1	114.0518	2.638	5	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CC[5a]O)(H)	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(NCH){3|C<4>,5|H<1>}	H(NN[5]C)	116.4280	0.000	1	116.4280	0.000	1	116.4280	0.000	1	114.0518	2.638	5	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]S[5]CC)(C[5]C[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CC[5a]O)(H)	N[5](C[5]S[5]CC)(C[5]C[5]O)(NCH){2|H<1>}	H(NN[5]C)	113.6830	0.000	1	113.6830	0.000	1	113.6787	1.453	3	114.0518	2.638	5	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	H(NN[5]C)	112.4710	0.000	1	112.4710	0.000	1	113.6787	1.453	3	114.0518	2.638	5	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:3:1:	4:3:3:	3:	N[5]-3:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	H(NN[5]C)	114.8820	0.000	1	114.8820	0.000	1	113.6787	1.453	3	114.0518	2.638	5	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:4:1:	3:3:3:	3:	N[5]-3:P-4:H-1:	C[5]-3:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(POOS)(H)	N[5](C[5]C[5]O)(C[5]S[5]N)(NHP)	H(NN[5]P)	N(N[5]C[5]2)(POOS)(H)	N[5](C[5]C[5]O)(C[5]S[5]N)(NHP){2|H<1>}	H(NN[5]P)	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:4:1:	4:3:3:	3:	N[5]-3:C-4:H-1:	C[5,6]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5,6]C[5])(CCHH)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH)	H(NN[5]C)	N(N[5]C[5,6]C[5])(CCHH)(H)	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(NCH){6|C<3>}	H(NN[5]C)	105.0940	0.000	1	105.0940	0.000	1	105.0940	0.000	1	106.3955	3.388	2	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP2	N	N[5]	H	3:4:1:	4:3:3:	3:	N[5]-3:C-4:H-1:	C[5]-4:C[5]-3:N-3:	N-3:	N(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH)	H(NN[5]C)	N(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(NCH){2|C<3>}	H(NN[5]C)	107.6970	0.000	1	107.6970	0.000	1	107.6970	0.000	1	106.3955	3.388	2	107.1422	17.288	721	107.1422	17.288	721
956	542	951	0:SP3_SP-NON_SP3	N	N[5,5]	H	3:4:1:	4:4:3:	3:	N[5,5]-3:S-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	N-3:	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS)	H(NN[5,5]S)	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS){1|C<3>,6|H<1>}	H(NN[5,5]S)	116.9240	0.000	2	116.9240	0.000	2	116.9240	0.000	2	116.9240	0.000	2	116.9240	0.000	2	116.5847	4.569	10
956	542	951	0:SP3_SP-NON_SP3	N	N[5,6]	H	3:4:1:	4:4:3:	3:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	N-3:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	H(NN[5,6]S)	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,7|H<1>}	H(NN[5,6]S)	117.5670	0.000	3	118.1870	0.721	5	116.4999	5.834	8	116.4999	5.834	8	116.4999	5.834	8	116.5847	4.569	10
956	542	951	0:SP3_SP-NON_SP3	N	N[5,6]	H	3:4:1:	4:4:3:	3:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	N-3:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	H(NN[5,6]S)	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	H(NN[5,6]S)	119.1170	0.000	2	118.1870	0.721	5	116.4999	5.834	8	116.4999	5.834	8	116.4999	5.834	8	116.5847	4.569	10
956	542	951	0:SP3_SP-NON_SP3	N	N[5,6]	H	3:4:1:	4:4:3:	3:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	N-3:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]H)2(NHS)	H(NN[5,6]S)	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]H)2(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	H(NN[5,6]S)	113.6880	0.000	3	113.6880	0.000	3	116.4999	5.834	8	116.4999	5.834	8	116.4999	5.834	8	116.5847	4.569	10
956	542	952	0:SP2_SP3_SP3	N	N[5,5]	S	3:4:1:	4:4:3:	3:3:1:1:	N[5,5]-3:S-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2C)(NHS)	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2C)(NHS){1|C<3>,6|H<1>}	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	117.7590	0.000	3	117.7590	0.000	3	117.7590	0.000	3	117.7590	0.000	3	117.7590	0.000	3	115.6907	2.598	9
956	542	952	0:SP2_SP3_SP3	N	N[5,6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,1|C<4>,6|H<1>}	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	114.6565	0.554	6	114.6565	0.307	6	114.6565	0.307	6	114.6565	0.307	6	114.6565	0.307	6	115.6907	2.598	9
956	542	952	0:SP3_SP3_SP3	N	N[5,5]	S	3:4:1:	4:4:3:	3:3:1:1:	N[5,5]-3:S-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS)	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	N(N[5,5]C[5,5,6]2)(SC[6a]OO)(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS){1|C<3>,6|H<1>}	S(C[6a]C[6a]2)(NN[5,5]H)(O)2	116.3690	0.000	2	116.3690	0.000	2	116.3690	0.000	2	116.3690	0.000	2	116.3690	0.000	2	113.6738	5.009	10
956	542	952	0:SP3_SP3_SP3	N	N[5,6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,7|H<1>}	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	115.1120	0.000	3	114.2744	1.315	5	113.0000	3.845	8	113.0000	3.845	8	113.0000	3.845	8	113.6738	5.009	10
956	542	952	0:SP3_SP3_SP3	N	N[5,6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	113.0180	0.000	2	114.2744	1.315	5	113.0000	3.845	8	113.0000	3.845	8	113.0000	3.845	8	113.6738	5.009	10
956	542	952	0:SP3_SP3_SP3	N	N[5,6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[5,6]-3:S-4:H-1:	C[5,6]-4:C[5,6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]H)2(NHS)	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	N(N[5,6]C[5,6]2)(SC[6a]OO)(H)	N[5,6](C[5,6]C[5]C[6]H)2(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	S(C[6a]C[6a]2)(NN[5,6]H)(O)2	110.8760	0.000	3	110.8760	0.000	3	113.0000	3.845	8	113.0000	3.845	8	113.0000	3.845	8	113.6738	5.009	10
956	542	992	0:SP3_SP2_SP3	N	N[5]	P	3:4:1:	3:3:3:	3:2:2:1:	N[5]-3:P-4:H-1:	C[5]-3:C[5]-3:N-3:	N-3:O-2:O-2:S-1:	N(N[5]C[5]2)(POOS)(H)	N[5](C[5]C[5]O)(C[5]S[5]N)(NHP)	P(NN[5]H)(OC)2(S)	N(N[5]C[5]2)(POOS)(H)	N[5](C[5]C[5]O)(C[5]S[5]N)(NHP){2|H<1>}	P(NN[5]H)(OC)2(S)	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1
956	562	643	0:SP2_SP2_SP3	N	Si[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	Si[5]-4:C[6a]-3:P-3:	Si[5]-4:Si[5]-4:N-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	Si[5](Si[5]Si[5]Cl2)2(NC[6a]P)(Cl)	C[6a](C[6a]C[6a]C)2(NSi[5]P)	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	Si[5](Si[5]Si[5]Cl2)2(NC[6a]P)(Cl){4|Cl<1>}	C[6a](C[6a]C[6a]C)2(NSi[5]P){1|C<3>,2|H<1>}	133.0750	0.000	1	133.0750	0.000	1	133.0750	0.000	1	133.0750	0.000	1	124.7725	137.863	2	124.7725	137.863	2
956	562	643	0:SP2_SP2_SP3	N	Si[5]	C[6a]	4:3:4:	4:4:3:4:	3:3:3:	Si[5]-4:C[6a]-3:Si-4:	C[5]-4:C[5]-4:N-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3)	C[6a](C[6a]C[6a]C)2(NSi[5]Si)	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3){2|C<4>}	C[6a](C[6a]C[6a]C)2(NSi[5]Si){1|C<3>,2|H<1>}	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	116.4700	0.000	1	124.7725	137.863	2	124.7725	137.863	2
956	562	880	0:SP2_SP3_SP3	N	Si[5]	Si	4:3:4:	4:4:3:4:	3:4:4:4:	Si[5]-4:C[6a]-3:Si-4:	C[5]-4:C[5]-4:N-3:Si-4:	N-3:C-4:C-4:C-4:	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3)	Si(NC[6a]Si[5])(CH3)3	N(Si[5]C[5]2Si)(C[6a]C[6a]2)(SiC3)	Si[5](C[5]C[5]HH)2(NC[6a]Si)(SiSi3){2|C<4>}	Si(NC[6a]Si[5])(CH3)3	127.0620	0.000	1	127.0620	0.000	1	127.0620	0.000	1	127.0620	0.000	1	122.4942	12.655	4	122.4942	12.655	4
956	562	880	0:SP2_SP3_SP3	N	Si[5]	Si	4:4:4:	3:2:3:2:	3:4:4:4:	Si[5]-4:Si-4:C-4:	N[5]-3:O[5]-2:N-3:N-2:	N-3:C-4:C-4:C-4:	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi)	Si(NSi[5]C)(CH3)3	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSi){2|C<3>}	Si(NSi[5]C)(CH3)3	119.0800	0.000	1	119.0800	0.000	1	119.0800	0.000	1	119.0800	0.000	1	122.4942	12.655	4	122.4942	12.655	4
956	562	880	0:SP2_SP3_SP3	N	Si[5]	Si	4:4:4:	3:3:2:3:	3:4:4:4:	Si[5]-4:Si-4:Si-4:	N[5]-3:C[5]-3:N-2:N-3:	N-3:C-4:C-4:C-4:	N(Si[5]C[5]N[5]N)(SiC3)2	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2)	Si(NSi[5]Si)(CH3)3	N(Si[5]C[5]N[5]N)(SiC3)2	Si[5](N[5]C[6a]C[5])(C[5]C[5]N)(NC[6a])(NSi2){1|H<1>,1|N<3>,2|C<3>}	Si(NSi[5]Si)(CH3)3	121.9175	2.186	2	121.9175	4.777	2	121.9175	4.777	2	121.9175	4.777	2	122.4942	12.655	4	122.4942	12.655	4
956	562	880	0:SP3_SP3_SP3	N	Si[5]	Si	4:4:1:	3:2:3:3:	3:4:4:4:	Si[5]-4:Si-4:H-1:	N[5]-3:O[5]-2:N-3:N-3:	N-3:C-4:C-4:C-4:	N(Si[5]N[5]O[5]N)(SiC3)(H)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH)	Si(NSi[5]H)(CH3)3	N(Si[5]N[5]O[5]N)(SiC3)(H)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH){2|C<3>}	Si(NSi[5]H)(CH3)3	127.8530	0.000	1	127.8530	0.000	1	127.8530	0.000	1	127.8530	0.000	1	121.3480	48.697	4	121.3480	48.697	4
956	562	880	0:SP3_SP3_SP3	N	Si[5]	Si	4:4:4:	2:2:3:1:	3:4:4:4:	Si[5]-4:Si-4:Si-4:	O[5]-2:O[5]-2:N-3:H-1:	N-3:C-4:C-4:C-4:	N(Si[5]O[5]2H)(SiC3)2	Si[5](O[5]C[5])2(NSi2)(H)	Si(NSi[5]Si)(CH3)3	N(Si[5]O[5]2H)(SiC3)2	Si[5](O[5]C[5])2(NSi2)(H){3|Fe<8>}	Si(NSi[5]Si)(CH3)3	119.3955	9.455	2	119.3955	89.392	2	119.3955	89.392	2	119.3955	89.392	2	121.3480	48.697	4	121.3480	48.697	4
956	562	880	0:SP3_SP3_SP3	N	Si[5]	Si	4:4:4:	3:2:3:3:	3:4:4:4:	Si[5]-4:Si-4:C-4:	N[5]-3:O[5]-2:N-3:N-3:	N-3:C-4:C-4:C-4:	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH)	Si(NSi[5]C)(CH3)3	N(Si[5]N[5]O[5]N)(SiC3)(CC3)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH){2|C<3>}	Si(NSi[5]C)(CH3)3	118.7480	0.000	1	118.7480	0.000	1	118.7480	0.000	1	118.7480	0.000	1	121.3480	48.697	4	121.3480	48.697	4
956	562	930	0:SP2_SP2_SP3	N	Si[5]	C	4:3:4:	4:4:3:3:	3:3:2:	Si[5]-4:C-3:C-4:	C[5]-4:C[5]-4:N-3:N-3:	C[6a]-3:N-3:N-2:	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	Si[5](C[5]C[5]HH)2(NCC)2	C(C[6a]C[6a]2)(NSi[5]C)(NC)	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	Si[5](C[5]C[5]HH)2(NCC)2{2|C<4>}	C(C[6a]C[6a]2)(NSi[5]C)(NC)	117.0465	0.593	2	117.0465	0.352	2	117.0477	3.257	4	117.0477	3.257	4	117.0477	3.257	4	117.0477	3.257	4
956	562	930	0:SP2_SP2_SP3	N	Si[5]	C	4:3:4:	4:4:3:3:	3:3:2:	Si[5]-4:C-3:C-4:	C[5]-4:C[5]-4:N-3:N-3:	C[6a]-3:N-3:N-2:	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	Si[5](C[5]C[6a]C[5]H)2(NCC)2	C(C[6a]C[6a]2)(NSi[5]C)(NC)	N(Si[5]C[5]2N)(CC[6a]N)(CCCH)	Si[5](C[5]C[6a]C[5]H)2(NCC)2{2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NSi[5]C)(NC)	117.0490	3.069	2	117.0490	9.418	2	117.0477	3.257	4	117.0477	3.257	4	117.0477	3.257	4	117.0477	3.257	4
956	562	945	0:SP2_SP3_SP3	N	Si[5]	P	4:3:3:	4:4:3:1:	3:3:3:	Si[5]-4:C[6a]-3:P-3:	Si[5]-4:Si[5]-4:N-3:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	Si[5](Si[5]Si[5]Cl2)2(NC[6a]P)(Cl)	P(C[6a]C[6a]2)2(NC[6a]Si[5])	N(Si[5]Si[5]2Cl)(C[6a]C[6a]2)(PC[6a]2)	Si[5](Si[5]Si[5]Cl2)2(NC[6a]P)(Cl){4|Cl<1>}	P(C[6a]C[6a]2)2(NC[6a]Si[5])	101.8770	0.000	1	101.8770	0.000	1	101.8770	0.000	1	101.8770	0.000	1	101.8770	0.000	1	101.8770	0.000	1
956	562	951	0:SP2_SP-NON_SP3	N	Si[5]	H	4:3:1:	3:3:3:2:	3:	Si[5]-4:B[5a]-3:H-1:	N[5]-3:N[5]-3:N-3:O-2:	N-3:	N(Si[5]N[5]2O)(B[5a]N[5a]2)(H)	Si[5](N[5]C[5]C)2(NB[5a]H)(OH)	H(NB[5a]Si[5])	N(Si[5]N[5]2O)(B[5a]N[5a]2)(H)	Si[5](N[5]C[5]C)2(NB[5a]H)(OH){2|H<1>}	H(NB[5a]Si[5])	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1
956	562	951	0:SP3_SP-NON_SP3	N	Si[5]	H	4:4:1:	3:2:3:3:	3:	Si[5]-4:Si-4:H-1:	N[5]-3:O[5]-2:N-3:N-3:	N-3:	N(Si[5]N[5]O[5]N)(SiC3)(H)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH)	H(NSi[5]Si)	N(Si[5]N[5]O[5]N)(SiC3)(H)	Si[5](N[5]C[5]C)(O[5]C[5])(NSiC)(NSiH){2|C<3>}	H(NSi[5]Si)	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1
956	598	643	0:SP2_SP2_SP2	N	Si[4]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Si[4]-3:P-3:	N[4]-3:N[4]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	Si[4](N[4]C[4]C)2(NC[6a]P)	C[6a](C[6a]C[6a]C)2(NSi[4]P)	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	Si[4](N[4]C[4]C)2(NC[6a]P){1|C<3>}	C[6a](C[6a]C[6a]C)2(NSi[4]P){1|C<3>,2|H<1>}	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1	115.7330	0.000	1
956	598	945	0:SP2_SP2_SP3	N	Si[4]	P	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:Si[4]-3:P-3:	N[4]-3:N[4]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	Si[4](N[4]C[4]C)2(NC[6a]P)	P(C[6a]C[6a]2)2(NC[6a]Si[4])	N(C[6a]C[6a]2)(Si[4]N[4]2)(PC[6a]2)	Si[4](N[4]C[4]C)2(NC[6a]P){1|C<3>}	P(C[6a]C[6a]2)2(NC[6a]Si[4])	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1	121.1900	0.000	1
956	606	610	0:SP3_SP3_SP3	N	Ge[5]	B	4:4:4:	3:3:3:2:	3:3:3:3:	Ge[5]-4:B-4:Si-4:	N[5]-3:N[5]-3:N-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	Ge[5](N[5]C[5]C)2(NSiB)(OSi)	B(C[6a]C[6a]2)3(NGe[5]Si)	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	Ge[5](N[5]C[5]C)2(NSiB)(OSi){2|C<3>}	B(C[6a]C[6a]2)3(NGe[5]Si)	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1
956	606	643	0:SP2_SP2_SP3	N	Ge[5]	C[6a]	4:3:4:	4:4:3:4:	3:3:3:	Ge[5]-4:C[6a]-3:Si-4:	C[5]-4:C[5]-4:N-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH)	C[6a](C[6a]C[6a]C)2(NGe[5]Si)	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH){2|C<4>}	C[6a](C[6a]C[6a]C)2(NGe[5]Si){1|C<3>,2|H<1>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1
956	606	880	0:SP2_SP3_SP3	N	Ge[5,5]	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Ge[5,5]-4:Si-4:Si-4:	P[3x5,6]-3:P[3x5,6]-3:N-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Ge[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(NSi2)2	Si(NGe[5,5]Si)(CH3)3	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Ge[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(NSi2)2{2|P<3>,4|C<4>}	Si(NGe[5,5]Si)(CH3)3	122.9202	4.127	10	122.9202	17.036	10	122.9202	17.036	10	122.9202	17.036	10	122.9202	17.036	10	122.0374	18.578	15
956	606	880	0:SP2_SP3_SP3	N	Ge[5]	Si	4:3:4:	4:4:3:4:	3:4:4:4:	Ge[5]-4:C[6a]-3:Si-4:	C[5]-4:C[5]-4:N-3:C-4:	N-3:C-4:C-4:C-4:	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH)	Si(NC[6a]Ge[5])(CH3)3	N(Ge[5]C[5]2C)(C[6a]C[6a]2)(SiC3)	Ge[5](C[5]C[5]HH)2(NC[6a]Si)(CCHH){2|C<4>}	Si(NC[6a]Ge[5])(CH3)3	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	120.2718	20.849	5	122.0374	18.578	15
956	606	880	0:SP2_SP3_SP3	N	Ge[5]	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ge[5]-4:Si-4:Si-4:	N[5]-3:N[5]-3:N-3:S-1:	N-3:C-4:C-4:C-4:	N(Ge[5]N[5]2S)(SiC3)2	Ge[5](N[5]C[5]C)2(NSi2)(S)	Si(NGe[5]Si)(CH3)3	N(Ge[5]N[5]2S)(SiC3)2	Ge[5](N[5]C[5]C)2(NSi2)(S){2|C<3>}	Si(NGe[5]Si)(CH3)3	119.8140	6.289	2	119.8140	39.552	2	119.8140	39.552	2	120.0415	27.446	4	120.2718	20.849	5	122.0374	18.578	15
956	606	880	0:SP2_SP3_SP3	N	Ge[5]	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ge[5]-4:Si-4:Si-4:	N[5]-3:N[5]-3:N-3:Se-1:	N-3:C-4:C-4:C-4:	N(Ge[5]N[5]2Se)(SiC3)2	Ge[5](N[5]C[5]C)2(NSi2)(Se)	Si(NGe[5]Si)(CH3)3	N(Ge[5]N[5]2Se)(SiC3)2	Ge[5](N[5]C[5]C)2(NSi2)(Se){2|C<3>}	Si(NGe[5]Si)(CH3)3	120.2690	6.525	2	120.2690	42.578	2	120.2690	42.578	2	120.0415	27.446	4	120.2718	20.849	5	122.0374	18.578	15
956	606	880	0:SP3_SP3_SP3	N	Ge[5,5]	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Ge[5,5]-4:Si-4:Si-4:	P[3x5,6]-3:P[3x5,6]-3:N-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Ge[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(NSi2)2	Si(NGe[5,5]Si)(CH3)3	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Ge[5,5](P[3x5,6]C[4,5,5,6]P[4,5,5,6])2(NSi2)2{2|P<3>,4|C<4>}	Si(NGe[5,5]Si)(CH3)3	122.8300	5.101	2	122.8300	26.021	2	122.8300	26.021	2	122.8300	26.021	2	122.8300	26.021	2	120.4453	30.070	3
956	606	880	0:SP3_SP3_SP3	N	Ge[5]	Si	4:4:4:	3:3:3:2:	3:4:4:4:	Ge[5]-4:B-4:Si-4:	N[5]-3:N[5]-3:N-3:O-2:	N-3:C-4:C-4:C-4:	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	Ge[5](N[5]C[5]C)2(NSiB)(OSi)	Si(NGe[5]B)(CH3)3	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	Ge[5](N[5]C[5]C)2(NSiB)(OSi){2|C<3>}	Si(NGe[5]B)(CH3)3	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	120.4453	30.070	3
956	610	610	0:SP3_SP3_SP3	N	B	B	4:4:1:	3:3:3:3:	3:3:3:3:	B-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(NBH)	B(C[6a]C[6a]2)3(NBH)	N(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(NBH)	B(C[6a]C[6a]2)3(NBH)	133.7840	0.000	1	133.7840	0.000	1	133.7840	0.000	1	133.7840	0.000	1	133.7840	0.000	1	133.7840	0.000	1
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[5]-3:N-3:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(BC[5]Cl2)	B(C[5]N[5]2)(NC[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(NC[6a]B)	N(C[6a]C[6a]2)2(BC[5]Cl2)	B(C[5]N[5]2)(NC[6a]2)(Cl)2	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	120.3380	1.701	2	120.3380	2.894	2	120.3380	2.894	2	120.3380	2.894	2	121.8497	4.637	10	121.8497	4.637	10
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	3:4:3:	3:3:3:1:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NBC)	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	119.6780	0.000	1	121.8497	4.637	10	121.8497	4.637	10
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	3:4:3:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C-3:N-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(NBC)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	121.7795	0.586	2	121.7795	0.344	2	121.7795	0.344	2	121.7795	0.344	2	121.8497	4.637	10	121.8497	4.637	10
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NBC)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	121.8440	0.000	1	121.8440	0.000	1	122.7060	1.486	2	122.7060	1.486	2	121.8497	4.637	10	121.8497	4.637	10
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NBC)	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	B(C[6a]C[6a]2)3(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	123.5680	0.000	1	123.5680	0.000	1	122.7060	1.486	2	122.7060	1.486	2	121.8497	4.637	10	121.8497	4.637	10
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	3:4:4:	3:3:3:2:	3:3:3:	C[6a]-3:B-4:S-4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(NBS)	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	C[6a](C[6a]C[6a]F)2(NBS){1|C<3>,2|F<1>}	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	121.2150	0.000	1	121.8497	4.637	10	121.8497	4.637	10
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NBC)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NBC){1|C<3>,2|H<1>}	121.0820	0.000	1	121.0820	0.000	1	121.0820	0.000	1	121.0820	0.000	1	121.8497	4.637	10	121.8497	4.637	10
956	610	643	0:SP2_SP2_SP3	N	B	C[6a]	4:3:3:	3:4:3:3:	3:3:3:	B-4:C[6a]-3:C-3:	C[6a]-3:C[6]-4:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]C)2(NBC)	N(BC[6a]2C[6])(C[6a]C[6a]2)(CFeRh)	B(C[6a]C[6,6a]C[6a])(C[6]C[6]2Rh)(C[6a]C[6a]2)(NC[6a]C)	C[6a](C[6a]C[6a]C)2(NBC){1|C<3>,2|H<1>}	126.8750	0.000	1	126.8750	0.000	1	126.8750	0.000	1	126.8750	0.000	1	121.8497	4.637	10	121.8497	4.637	10
956	610	762	0:SP2_SP2_SP3	N	B	C[6]	3:4:1:	3:3:3:1:	3:3:3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N-3:Cl-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	125.4120	0.607	2	125.4120	0.368	2	125.4120	0.368	2	125.2850	1.527	4	125.7222	4.018	9	125.7222	4.018	9
956	610	762	0:SP2_SP2_SP3	N	B	C[6]	3:4:1:	3:3:3:1:	3:3:3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N-3:Cl-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	126.5980	0.000	1	126.5980	0.000	1	126.5980	0.000	1	125.2850	1.527	4	125.7222	4.018	9	125.7222	4.018	9
956	610	762	0:SP2_SP2_SP3	N	B	C[6]	3:4:1:	3:3:3:1:	3:3:3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	N(C[6]C[6]N[6])(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(NC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	123.7180	0.000	1	123.7180	0.000	1	123.7180	0.000	1	125.2850	1.527	4	125.7222	4.018	9	125.7222	4.018	9
956	610	762	0:SP2_SP2_SP3	N	B	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	N(C[6]C[6]N[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	127.3185	0.103	2	127.3185	0.011	2	127.3185	0.011	2	127.8687	0.913	3	125.7222	4.018	9	125.7222	4.018	9
956	610	762	0:SP2_SP2_SP3	N	B	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	N(C[6]C[6]N[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	128.9690	0.000	1	128.9690	0.000	1	128.9690	0.000	1	127.8687	0.913	3	125.7222	4.018	9	125.7222	4.018	9
956	610	762	0:SP2_SP2_SP3	N	B	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:B-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N(C[6]N[6]2)(CCCH)(BH3)	B(NC[6]C)(H)3	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC)	N(C[6]N[6]2)(CCCH)(BH3)	B(NC[6]C)(H)3	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC){1|N<3>,3|H<1>}	123.1040	0.000	1	123.1040	0.000	1	123.1040	0.000	1	123.1040	0.000	1	125.7222	4.018	9	125.7222	4.018	9
956	610	762	0:SP2_SP2_SP3	N	B	C[6]	3:4:4:	3:1:1:1:	4:4:3:	C[6]-3:C-4:B-4:	N-3:F-1:F-1:F-1:	C[6]-4:C[6]-4:N-3:	N(C[6]C[6]2)(CC[6a]HH)(BF3)	B(NC[6]C)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	N(C[6]C[6]2)(CC[6a]HH)(BF3)	B(NC[6]C)(F)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	123.6500	0.000	1	123.6500	0.000	1	123.6500	0.000	1	123.6500	0.000	1	125.7222	4.018	9	125.7222	4.018	9
956	610	770	0:SP2_SP2_SP3	N	B	B	4:3:2:	4:3:1:1:	4:3:1:	B-4:B-3:N-2:	C[6]-4:N-3:H-1:H-1:	C[6]-4:N-3:H-1:	N(BC[6]HH)(BC[6]H)(NW)	B(C[6]C[6]2H)(NBN)(H)2	B(C[6]C[6]2H)(NBN)(H)	N(BC[6]HH)(BC[6]H)(NW)	B(C[6]C[6]2H)(NBN)(H)2	B(C[6]C[6]2H)(NBN)(H)	126.5000	0.000	1	126.5000	0.000	1	126.5000	0.000	1	126.5000	0.000	1	126.5000	0.000	1	126.5000	0.000	1
956	610	863	0:SP2_SP2_SP3	N	B	O	4:1:1:	3:3:1:1:	3:	B-4:O-1:O-1:	C[5]-3:N-3:H-1:H-1:	N-3:	N(BC[5]HH)(O)2	B(C[5]N[5]2)(NOO)(H)2	O(NBO)	N(BC[5]HH)(O)2	B(C[5]N[5]2)(NOO)(H)2	O(NBO)	119.6680	1.689	2	119.6680	2.851	2	119.6680	2.851	2	119.6680	2.851	2	118.6090	4.790	3	118.6090	4.790	3
956	610	863	0:SP2_SP2_SP3	N	B	O	4:2:1:	3:3:1:1:	3:	B-4:N-2:O-1:	C[5]-3:N-3:H-1:H-1:	N-3:	N(BC[5]HH)(NC[6a])(O)	B(C[5]N[5]2)(NNO)(H)2	O(NBN)	N(BC[5]HH)(NC[6a])(O)	B(C[5]N[5]2)(NNO)(H)2	O(NBN)	116.4910	0.000	1	116.4910	0.000	1	116.4910	0.000	1	116.4910	0.000	1	118.6090	4.790	3	118.6090	4.790	3
956	610	880	0:SP3_SP3_SP3	N	B	Si	4:4:4:	3:3:1:1:	3:4:4:4:	B-4:Si-4:Si-4:	C[5]-3:N-3:Cl-1:Cl-1:	N-3:C-4:C-4:C-4:	N(BC[5]Cl2)(SiC3)2	B(C[5]C[5]N[5])(NSi2)(Cl)2	Si(NSiB)(CH3)3	N(BC[5]Cl2)(SiC3)2	B(C[5]C[5]N[5])(NSi2)(Cl)2	Si(NSiB)(CH3)3	119.6360	1.621	2	119.6360	2.627	2	119.6360	2.627	2	119.6360	2.627	2	119.4280	1.443	3	119.4280	1.443	3
956	610	880	0:SP3_SP3_SP3	N	B	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Ge[5]-4:B-4:Si-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	B(C[6a]C[6a]2)3(NGe[5]Si)	Si(NGe[5]B)(CH3)3	N(Ge[5]N[5]2O)(BC[6a]3)(SiC3)	B(C[6a]C[6a]2)3(NGe[5]Si)	Si(NGe[5]B)(CH3)3	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.4280	1.443	3	119.4280	1.443	3
956	610	930	0:SP2_SP2_SP3	N	B	C	3:4:1:	3:1:1:1:	3:3:3:	C-3:B-4:H-1:	N-3:F-1:F-1:F-1:	C[6a]-3:N-3:N-3:	N(CC[6a]N)(BF3)(H)	B(NCH)(F)3	C(C[6a]N[6a]2)(NBH)(NHH)	N(CC[6a]N)(BF3)(H)	B(NCH)(F)3	C(C[6a]N[6a]2)(NBH)(NHH)	126.5210	0.000	1	126.5210	0.000	1	126.5210	0.000	1	126.5210	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	3:4:3:	3:3:3:1:	3:3:4:	C[6a]-3:B-4:C-3:	C[6a]-3:C[6a]-3:N-3:H-1:	N-3:N-3:C-4:	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C(NC[6a]B)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	B(C[6a]C[6a]2)2(NC[6a]C)(H)	C(NC[6a]B)(NC[6a]H)(CH3)	122.2390	0.000	1	122.2390	0.000	1	122.2390	0.000	1	122.2390	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	3:4:3:	3:3:3:2:	3:3:2:	C[6a]-3:B-4:C-3:	C[6a]-3:C-3:N-3:O-2:	C-3:N-3:O-2:	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(CC[6a]C)(NC[6a]B)(OB)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(CC[6a]C)(NC[6a]B)(OB)	118.8045	0.586	2	118.8045	0.344	2	118.8045	0.344	2	118.8045	0.344	2	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	3:4:3:	3:3:3:3:	3:3:1:	C[6a]-3:B-4:C-3:	C[6a]-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)	B(C[6a]C[6a]2)3(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]B)(H)	N(C[6a]C[6a]2)(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]B)(H)	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	119.6120	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	3:4:3:	3:3:3:3:	3:3:3:	C[6a]-3:B-4:C-3:	C[6a]-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)	B(C[6a]C[6a]2)3(NC[6a]C)	C(NC[6a]B)(NCH)2	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	B(C[6a]C[6a]2)3(NC[6a]C)	C(NC[6a]B)(NCH)2	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:3:1:	3:3:3:1:	3:3:1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6]-3:N-3:H-1:	N(BC[6a]2H)(CC[6]H)(H)	B(C[6a]C[6a]2)2(NCH)(H)	C(C[6]C[6]2)(NBH)(H)	N(BC[6a]2H)(CC[6]H)(H)	B(C[6a]C[6a]2)2(NCH)(H)	C(C[6]C[6]2)(NBH)(H)	125.2920	0.000	1	125.2920	0.000	1	126.0715	1.215	2	126.0715	1.215	2	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:3:1:	3:3:3:1:	3:3:1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	C[6]-3:N-3:H-1:	N(BC[6a]2H)(CC[6]H)(H)	B(C[6a]C[6a]2)2(NCH)(H)	C(C[6]P[6]2)(NBH)(H)	N(BC[6a]2H)(CC[6]H)(H)	B(C[6a]C[6a]2)2(NCH)(H)	C(C[6]P[6]2)(NBH)(H)	126.8510	0.000	1	126.8510	0.000	1	126.0715	1.215	2	126.0715	1.215	2	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:3:1:	3:3:3:3:	3:3:1:	B-4:C-3:H-1:	N[5]-3:N[5]-3:N[5]-3:N-3:	N-3:N-3:H-1:	N(BN[5]3)(CHN)(H)	B(N[5]C[5]2)3(NCH)	C(NBH)(NCC)(H)	N(BN[5]3)(CHN)(H)	B(N[5]C[5]2)3(NCH)	C(NBH)(NCC)(H)	126.3615	1.177	2	126.3615	1.386	2	126.3615	1.386	2	126.3615	1.386	2	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:3:3:	3:3:3:3:	3:3:1:	B-4:C[6a]-3:C-3:	C[6a]-3:N[6]-3:C-3:N-3:	C-3:N-3:S-1:	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C(CC[6a]C)(NC[6a]B)(S)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	B(C[6a]C[6a]2)(N[6]C[6]2)(CC[6a]C)(NC[6a]C)	C(CC[6a]C)(NC[6a]B)(S)	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	122.5100	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:3:4:	3:3:3:3:	3:3:1:	B-4:C-3:C-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(BC[6a]3)(CC[6a]H)(CCHH)	B(C[6a]C[6a]2)3(NCC)	C(C[6a]C[6a]2)(NBC)(H)	N(BC[6a]3)(CC[6a]H)(CCHH)	B(C[6a]C[6a]2)3(NCC)	C(C[6a]C[6a]2)(NBC)(H)	123.1890	0.000	1	123.1890	0.000	1	123.1890	0.000	1	123.1890	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:4:3:	3:3:3:2:	3:3:1:	B-4:C-4:C-3:	C[6a]-3:C[6a]-3:N-3:C-2:	N-3:N-3:H-1:	N(BC[6a]2C)(CCCH)(CHN)	B(C[6a]C[6a]2)2(NCC)(CC)	C(NBC)(NCH)(H)	N(BC[6a]2C)(CCCH)(CHN)	B(C[6a]C[6a]2)2(NCC)(CC)	C(NBC)(NCH)(H)	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:4:3:	3:3:3:3:	3:3:1:	C-4:B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(NCC)	C(C[6a]C[6a]2)(NBC)(H)	N(CC[6a]HH)(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(NCC)	C(C[6a]C[6a]2)(NBC)(H)	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	124.5920	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	930	0:SP2_SP2_SP3	N	B	C	4:4:3:	3:3:3:3:	3:4:3:	C-4:B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C-4:N-3:	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(NCC)	C(C[6a]C[6a]2)(CH3)(NBC)	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(NCC)	C(C[6a]C[6a]2)(CH3)(NBC)	131.2340	0.000	1	131.2340	0.000	1	131.2340	0.000	1	131.2340	0.000	1	123.6914	12.287	15	123.6914	12.287	15
956	610	941	0:SP2_SP2_SP3	N	B	N	4:2:1:	3:3:1:1:	3:3:	B-4:N-2:H-1:	C[5]-3:N-3:H-1:H-1:	C[6]-3:N-3:	N(BC[5]HH)(NC[6])(H)	B(C[5]N[5]2)(NHN)(H)2	N(C[6]C[6]2)(NBH)	N(BC[5]HH)(NC[6])(H)	B(C[5]N[5]2)(NHN)(H)2	N(C[6]C[6]2)(NBH)	122.1450	0.000	1	122.1450	0.000	1	122.1450	0.000	1	120.8690	3.256	2	121.9377	3.218	4	121.9377	3.218	4
956	610	941	0:SP2_SP2_SP3	N	B	N	4:2:1:	3:3:1:1:	3:3:	B-4:N-2:O-1:	C[5]-3:N-3:H-1:H-1:	C[6a]-3:N-3:	N(BC[5]HH)(NC[6a])(O)	B(C[5]N[5]2)(NNO)(H)2	N(C[6a]C[6a]2)(NBO)	N(BC[5]HH)(NC[6a])(O)	B(C[5]N[5]2)(NNO)(H)2	N(C[6a]C[6a]2)(NBO)	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	120.8690	3.256	2	121.9377	3.218	4	121.9377	3.218	4
956	610	941	0:SP2_SP2_SP3	N	B	N	4:2:1:	3:3:3:1:	3:3:	B-4:N-2:H-1:	C[5]-3:N-3:N-3:H-1:	C[6]-3:N-3:	N(BC[5]HN)(NC[6])(H)	B(C[5]N[5]2)(NHN)2(H)	N(C[6]C[6]2)(NBH)	N(BC[5]HN)(NC[6])(H)	B(C[5]N[5]2)(NHN)2(H)	N(C[6]C[6]2)(NBH)	123.0065	1.353	2	123.0065	1.830	2	123.0065	1.830	2	123.0065	1.830	2	121.9377	3.218	4	121.9377	3.218	4
956	610	951	0:SP2_SP-NON_SP3	N	B	H	3:4:1:	3:1:1:1:	3:	C-3:B-4:H-1:	N-3:F-1:F-1:F-1:	N-3:	N(CC[6a]N)(BF3)(H)	B(NCH)(F)3	H(NBC)	N(CC[6a]N)(BF3)(H)	B(NCH)(F)3	H(NBC)	118.7280	0.000	1	118.7280	0.000	1	118.7280	0.000	1	118.7280	0.000	1	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP2_SP-NON_SP3	N	B	H	3:4:1:	3:3:3:1:	3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N-3:Cl-1:	N-3:	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]2Cl)(H)	B(C[6a]C[6a]2)2(NC[6]H)(Cl)	H(NC[6]B)	119.4873	1.922	3	119.4873	3.696	3	119.4873	3.696	3	120.6225	7.618	4	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP2_SP-NON_SP3	N	B	H	3:4:1:	3:3:3:1:	3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	N-3:	N(C[6]C[6]N[6])(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(NC[6]H)(H)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]2H)(H)	B(C[6a]C[6a]2)2(NC[6]H)(H)	H(NC[6]B)	124.0280	0.000	1	124.0280	0.000	1	124.0280	0.000	1	120.6225	7.618	4	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP2_SP-NON_SP3	N	B	H	3:4:1:	3:3:3:3:	3:	C[6]-3:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6]C[6]N[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NC[6]H)	H(NC[6]B)	N(C[6]C[6]N[6])(BC[6a]3)(H)	B(C[6a]C[6a]2)3(NC[6]H)	H(NC[6]B)	118.7140	2.999	3	118.7140	8.992	3	118.7140	8.992	3	118.7140	8.992	3	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP2_SP-NON_SP3	N	B	H	4:2:1:	3:3:1:1:	3:	B-4:N-2:H-1:	C[5]-3:N-3:H-1:H-1:	N-3:	N(BC[5]HH)(NC[6])(H)	B(C[5]N[5]2)(NHN)(H)2	H(NBN)	N(BC[5]HH)(NC[6])(H)	B(C[5]N[5]2)(NHN)(H)2	H(NBN)	121.9690	0.000	1	121.9690	0.000	1	121.9690	0.000	1	121.9690	0.000	1	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP2_SP-NON_SP3	N	B	H	4:2:1:	3:3:3:1:	3:	B-4:N-2:H-1:	C[5]-3:N-3:N-3:H-1:	N-3:	N(BC[5]HN)(NC[6])(H)	B(C[5]N[5]2)(NHN)2(H)	H(NBN)	N(BC[5]HN)(NC[6])(H)	B(C[5]N[5]2)(NHN)2(H)	H(NBN)	126.6825	6.376	2	126.6825	40.653	2	126.6825	40.653	2	126.6825	40.653	2	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP2_SP-NON_SP3	N	B	H	4:3:1:	3:3:3:1:	3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	N-3:	N(BC[6a]2H)(CC[6]H)(H)	B(C[6a]C[6a]2)2(NCH)(H)	H(NBC)	N(BC[6a]2H)(CC[6]H)(H)	B(C[6a]C[6a]2)2(NCH)(H)	H(NBC)	117.6695	1.590	2	117.6695	2.529	2	117.6695	2.529	2	117.6695	2.529	2	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP2_SP-NON_SP3	N	B	H	4:3:1:	3:3:3:3:	3:	B-4:C-3:H-1:	N[5]-3:N[5]-3:N[5]-3:N-3:	N-3:	N(BN[5]3)(CHN)(H)	B(N[5]C[5]2)3(NCH)	H(NBC)	N(BN[5]3)(CHN)(H)	B(N[5]C[5]2)3(NCH)	H(NBC)	116.8670	0.569	2	116.8670	0.323	2	116.8670	0.323	2	116.8670	0.323	2	120.1178	15.425	15	120.1178	15.425	15
956	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:	3:3:3:3:	3:	B-4:B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:	N(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(NBH)	H(NBB)	N(BC[6a]3)2(H)	B(C[6a]C[6a]2)3(NBH)	H(NBB)	105.0685	1.092	2	105.0685	1.194	2	105.0685	1.194	2	110.7865	44.369	4	110.7865	44.369	4	110.7865	44.369	4
956	610	951	0:SP3_SP-NON_SP3	N	B	H	4:4:1:	3:3:3:3:	3:	B-4:N-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:	N(BC[6a]3)(NFeHH)(H)	B(C[6a]C[6a]2)3(NHN)	H(NBN)	N(BC[6a]3)(NFeHH)(H)	B(C[6a]C[6a]2)3(NHN)	H(NBN)	116.5045	1.064	2	116.5045	1.133	2	116.5045	1.133	2	110.7865	44.369	4	110.7865	44.369	4	110.7865	44.369	4
956	610	952	0:SP2_SP3_SP3	N	B	S	3:4:4:	3:3:3:2:	3:3:1:1:	C[6a]-3:B-4:S-4:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	S(C[6a]C[6a]2)(NC[6a]B)(O)2	N(C[6a]C[6a]2)(BC[6a]2O)(SC[6a]OO)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	S(C[6a]C[6a]2)(NC[6a]B)(O)2	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1
956	613	643	0:SP2_SP2_SP2	N	Ge[5a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[5a]-3:C[6a]-3:C[6a]-3:	N[5a]-3:N[5a]-3:N-3:	N-3:C[6a]-3:C[6a]-3:	N(Ge[5a]N[5a]2)(C[6a]C[6a]2)2	Ge[5a](N[5a]C[5a]C)2(NC[6a]2)	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2	N(Ge[5a]N[5a]2)(C[6a]C[6a]2)2	Ge[5a](N[5a]C[5a]C)2(NC[6a]2){2|C<3>}	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	121.2505	2.152	2	121.2505	4.630	2	121.2505	4.630	2	121.2505	4.630	2	121.2505	4.630	2	121.2505	4.630	2
956	617	880	0:SP2_SP2_SP3	N	B[3a]	Si	3:4:4:	3:3:3:	3:4:4:4:	B[3a]-3:Si-4:Si-4:	C[3a]-3:C[3a]-3:N-3:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]B)2(NSi2)	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]B)2(NSi2)	Si(NB[3a]Si)(CH3)3	117.8580	0.946	2	117.8580	0.895	2	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18
956	617	880	0:SP2_SP2_SP3	N	B[3a]	Si	3:4:4:	3:3:3:	3:4:4:4:	B[3a]-3:Si-4:Si-4:	C[3a]-3:C[3a]-3:N-3:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2)	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]2)(NSi2){1|B<3>,3|C<3>}	Si(NB[3a]Si)(CH3)3	116.3912	4.680	4	116.3912	21.899	4	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18
956	617	880	0:SP2_SP2_SP3	N	B[3a]	Si	3:4:4:	3:3:3:	3:4:4:4:	B[3a]-3:Si-4:Si-4:	C[3a]-3:C[3a]-3:N-3:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Fe)(NSi2)	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Fe)(NSi2){2|C<3>}	Si(NB[3a]Si)(CH3)3	114.7537	4.334	4	114.7537	18.783	4	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18
956	617	880	0:SP2_SP2_SP3	N	B[3a]	Si	3:4:4:	3:3:3:	3:4:4:4:	B[3a]-3:Si-4:Si-4:	C[3a]-3:C[3a]-3:N-3:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Pt)(NSi2)	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]Pt)(NSi2){2|C<3>}	Si(NB[3a]Si)(CH3)3	116.8582	2.917	6	116.8582	8.511	6	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18
956	617	880	0:SP2_SP2_SP3	N	B[3a]	Si	3:4:4:	3:3:3:	3:4:4:4:	B[3a]-3:Si-4:Si-4:	C[3a]-3:C[3a]-3:N-3:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])2(NSi2)	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2)(SiC3)2	B[3a](C[3a]C[3a]C[6a])2(NSi2){4|C<3>}	Si(NB[3a]Si)(CH3)3	116.6495	5.762	2	116.6495	33.203	2	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18	116.3747	12.657	18
956	618	643	0:SP2_SP2_SP2	N	B[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:3:	B[6,6]-3:C[6a]-3:C-3:	C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	B[6,6](C[6,6]C[6]2H)2(NC[6a]C)	C[6a](C[6a]C[6a]C)2(NB[6,6]C)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	B[6,6](C[6,6]C[6]2H)2(NC[6a]C){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]C)2(NB[6,6]C){1|C<3>,2|H<1>}	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	119.6134	5.679	14
956	618	643	0:SP2_SP2_SP2	N	B[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6a]-3:C[6a]-3:	C[6]-3:N[6]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	B[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	B[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]2){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	119.8775	1.445	2	119.8775	2.087	2	119.8775	2.087	2	119.8775	2.087	2	119.2925	4.590	13	119.6134	5.679	14
956	618	643	0:SP2_SP2_SP2	N	B[6]	C[6a]	3:3:3:	3:4:3:	3:3:3:	B[6]-3:C[6a]-3:B-3:	N[6]-3:C[6]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B)	C[6a](C[6a]C[6a]H)2(NB[6]B)	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NB[6]B){1|C<3>,2|H<1>}	113.0480	0.000	1	113.0480	0.000	1	113.0480	0.000	1	113.0480	0.000	1	119.2925	4.590	13	119.6134	5.679	14
956	618	643	0:SP2_SP2_SP2	N	B[6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	B[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	119.8206	1.170	8	119.7999	1.194	10	119.7999	1.194	10	119.7999	1.194	10	119.2925	4.590	13	119.6134	5.679	14
956	618	643	0:SP2_SP2_SP2	N	B[6]	C[6a]	3:3:3:	4:3:3:	3:3:3:	B[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	B[6](C[6]C[6]HH)(N[6]C[6]C)(NC[6a]2){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	119.7170	1.068	2	119.7999	1.194	10	119.7999	1.194	10	119.7999	1.194	10	119.2925	4.590	13	119.6134	5.679	14
956	618	727	0:SP2_SP2_SP2	N	B[6,6]	C[5a]	3:3:4:	4:4:3:	3:3:3:	B[6,6]-3:C[5a]-3:C-4:	C[6,6]-4:C[6,6]-4:N-3:	N[5a]-3:N[5a]-3:N-3:	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	B[6,6](C[6,6]C[6]2H)2(NC[5a]C)	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C)	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	B[6,6](C[6,6]C[6]2H)2(NC[5a]C){2|C<4>,8|H<1>}	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C){1|N<2>,2|C<3>,2|C<4>}	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1	119.9800	0.000	1
956	618	770	0:SP2_SP2_SP2	N	B[6]	B	3:3:2:	3:4:3:	3:3:3:	B[6]-3:B-3:N-2:	N[6]-3:C[6]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(BC[6a]2)(NN)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN)	B(C[6a]C[6a]2)2(NB[6]N)	N(B[6]C[6]N[6])(BC[6a]2)(NN)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN){1|C<4>,2|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(NB[6]N)	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	122.4430	0.759	2	122.4430	0.759	2
956	618	770	0:SP2_SP2_SP2	N	B[6]	B	3:3:3:	3:4:3:	3:3:3:	B[6]-3:C[6a]-3:B-3:	N[6]-3:C[6]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B)	B(C[6a]C[6a]2)2(NC[6a]B[6])	N(B[6]C[6]N[6])(C[6a]C[6a]2)(BC[6a]2)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NC[6a]B){1|C<4>,2|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(NC[6a]B[6])	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	121.8270	0.000	1	122.4430	0.759	2	122.4430	0.759	2
956	618	846	0:SP2_SP2_SP2	N	B[6,6]	C[4]	3:3:4:	4:4:3:	3:3:3:	B[6,6]-3:C[4]-3:C-4:	C[6,6]-4:C[6,6]-4:N-3:	N[4]-3:N[4]-3:N-3:	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	B[6,6](C[6,6]C[6]2H)2(NC[4]C)	C[4](N[4]B[4,6,6]C[6a])(N[4]B[4,6,6]C)(NB[6,6]C)	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	B[6,6](C[6,6]C[6]2H)2(NC[4]C){2|C<4>,8|H<1>}	C[4](N[4]B[4,6,6]C[6a])(N[4]B[4,6,6]C)(NB[6,6]C){2|C<3>,2|C<4>}	120.8340	0.000	1	120.8340	0.000	1	120.8340	0.000	1	120.8340	0.000	1	120.8340	0.000	1	120.8340	0.000	1
956	618	930	0:SP2_SP2_SP2	N	B[6,6]	C	3:3:3:	4:4:3:	3:2:1:	B[6,6]-3:C[6a]-3:C-3:	C[6,6]-4:C[6,6]-4:N-3:	N-3:N-2:H-1:	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	B[6,6](C[6,6]C[6]2H)2(NC[6a]C)	C(NB[6,6]C[6a])(NC[6a])(H)	N(B[6,6]C[6,6]2)(C[6a]C[6a]2)(CHN)	B[6,6](C[6,6]C[6]2H)2(NC[6a]C){2|C<4>,8|H<1>}	C(NB[6,6]C[6a])(NC[6a])(H)	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1
956	618	941	0:SP2_SP2_SP2	N	B[6]	N	3:3:2:	3:4:3:	3:2:	B[6]-3:B-3:N-2:	N[6]-3:C[6]-4:N-3:	N-3:N-2:	N(B[6]C[6]N[6])(BC[6a]2)(NN)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN)	N(NB[6]B)(NC[6a])	N(B[6]C[6]N[6])(BC[6a]2)(NN)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(NBN){1|C<4>,2|H<1>,3|C<3>}	N(NB[6]B)(NC[6a])	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1
956	618	992	0:SP2_SP2_SP3	N	B[6,6]	P	3:4:4:	4:4:3:	3:3:3:3:	B[6,6]-3:P-4:C-4:	C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	B[6,6](C[6,6]C[6]2H)2(NCP)	P(C[6a]C[6a]2)3(NB[6,6]C)	N(B[6,6]C[6,6]2)(PC[6a]3)(CH3)	B[6,6](C[6,6]C[6]2H)2(NCP){2|C<4>,8|H<1>}	P(C[6a]C[6a]2)3(NB[6,6]C)	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1	122.1930	0.000	1
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	130.8510	1.404	2	129.7083	4.903	3	129.1912	4.131	12	129.1912	4.131	12	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a])(NC[6a]H){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.4230	0.000	1	129.7083	4.903	3	129.1912	4.131	12	129.1912	4.131	12	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a])(NC[6a]H){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.1830	0.000	1	130.1830	0.000	1	129.1912	4.131	12	129.1912	4.131	12	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	127.9540	0.757	2	128.8734	4.721	8	129.1912	4.131	12	129.1912	4.131	12	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.3240	2.164	2	128.8734	4.721	8	129.1912	4.131	12	129.1912	4.131	12	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.4150	0.000	1	128.8734	4.721	8	129.1912	4.131	12	129.1912	4.131	12	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.0053	2.937	3	128.8734	4.721	8	129.1912	4.131	12	129.1912	4.131	12	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	130.3775	0.477	2	130.3775	0.228	2	130.3775	0.228	2	130.3775	0.228	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	130.7230	0.000	1	130.7230	0.000	1	130.7917	1.441	3	130.7917	1.441	3	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	130.8260	1.696	2	130.8260	2.875	2	130.7917	1.441	3	130.7917	1.441	3	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	123.4750	0.000	1	123.4750	0.000	1	129.0324	5.253	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	131.4980	0.000	1	131.4980	0.000	1	129.0324	5.253	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.6290	0.000	1	129.2373	5.119	3	129.0324	5.253	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.6680	0.000	1	129.2373	5.119	3	129.0324	5.253	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.4150	0.000	1	129.2373	5.119	3	129.0324	5.253	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.7998	0.285	4	129.7998	0.081	4	129.0324	5.253	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]N)(NC[6a]H){2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.7360	1.560	2	128.7360	2.433	2	129.0324	5.253	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.2160	0.000	2	126.2160	0.000	2	127.3972	5.674	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.7140	0.000	1	128.4245	0.168	2	127.3972	5.674	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]N)(NC[6a]H){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	128.1350	0.000	1	128.4245	0.168	2	127.3972	5.674	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(NC[6a]H){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.8630	1.041	2	128.8630	1.083	2	127.3972	5.674	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.3152	3.592	4	126.3152	12.901	4	127.3972	5.674	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]H)(NC[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	129.1010	0.000	1	129.1010	0.000	1	127.3972	5.674	11	128.2148	5.904	22	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]N[6a]2)2(H)	C[6a](N[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|O<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	129.4215	0.609	2	129.4215	0.371	2	129.4215	0.371	2	129.4215	0.371	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	131.5960	0.000	1	128.7139	11.578	31	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	128.5465	2.132	2	128.7139	11.578	31	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	125.8256	2.589	13	128.7139	11.578	31	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	130.7720	1.184	2	128.7139	11.578	31	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	131.3780	0.470	2	128.7139	11.578	31	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	131.0875	2.617	10	128.7139	11.578	31	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	130.5350	0.000	1	128.7139	11.578	31	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	128.6430	0.000	1	128.6430	0.000	1	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])2(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|O<2>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	129.1130	0.000	1	129.1130	0.000	1	128.7239	10.860	33	128.7239	10.860	33	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.5570	0.000	1	124.5570	0.000	1	129.0814	4.478	8	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	129.3880	0.000	1	129.3880	0.000	1	129.0814	4.478	8	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	128.2930	0.000	1	128.2930	0.000	1	129.0814	4.478	8	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	131.9370	0.000	1	131.9370	0.000	1	129.0814	4.478	8	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.8910	0.000	1	129.4227	0.195	3	129.0814	4.478	8	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.1885	0.248	2	129.4227	0.195	3	129.0814	4.478	8	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.2080	0.000	1	130.2080	0.000	1	129.0814	4.478	8	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6,6a]N[6a])(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	121.6990	0.000	1	121.6990	0.000	1	121.6990	0.000	1	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(N[6a]C[6a])(NC[6a]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.3560	0.000	1	127.3560	0.000	1	127.3560	0.000	1	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6,6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.7255	1.695	2	127.7255	2.873	2	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	131.3200	0.000	1	131.3200	0.000	1	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	129.7490	0.000	1	129.7490	0.000	1	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.6540	0.000	1	128.2725	6.481	27	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.7650	0.000	1	128.2725	6.481	27	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	129.1457	2.233	3	128.2725	6.481	27	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	127.8799	3.288	11	128.2725	6.481	27	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.2933	1.151	3	128.2725	6.481	27	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	129.3679	0.970	8	128.2725	6.481	27	128.3832	6.102	31	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.7530	0.000	1	129.7530	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	124.4969	1.136	14	124.4969	1.291	14	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	130.1840	0.000	1	130.1840	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]F)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|H<1>}	124.9176	1.432	5	124.9176	2.050	5	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<2>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.4050	0.000	1	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.9420	2.075	3	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){2|Cl<1>,1|C<3>}	132.1910	0.000	1	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	130.8843	0.976	4	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.6738	2.426	13	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	129.7537	0.190	3	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.7430	0.000	1	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	133.1680	0.000	1	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	131.4595	0.657	2	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|O<2>,2|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.4520	2.871	2	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){2|Cl<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	133.1460	0.000	1	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	132.3240	0.000	1	129.7631	5.119	33	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	126.1700	0.000	1	126.1700	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]N)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	126.0030	0.000	1	126.0030	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<4>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	124.7480	0.000	1	124.7480	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	124.9040	0.000	1	124.1140	4.175	7	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	124.0475	4.026	2	124.1140	4.175	7	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	124.3367	1.776	3	124.1140	4.175	7	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.7890	0.000	1	124.1140	4.175	7	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	128.0060	0.000	1	128.0060	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	126.5870	0.000	1	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.7025	0.657	2	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	127.6508	5.066	12	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.0807	3.591	6	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|N<2>,2|H<1>}	129.1893	1.888	3	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	127.3100	0.000	1	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	128.3908	1.325	5	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	127.2430	0.000	2	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.5109	2.092	26	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	127.6160	0.000	1	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	131.5080	0.024	2	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|C<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.4998	0.476	4	128.0541	8.258	65	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	132.4460	0.000	1	132.4460	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	114.8400	0.000	1	114.8400	0.000	1	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	130.6655	0.226	2	130.6655	0.051	2	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	131.3180	1.037	2	130.3379	2.767	19	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.7476	0.975	7	130.3379	2.767	19	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	130.5790	0.000	1	130.3379	2.767	19	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.5640	0.000	1	130.3379	2.767	19	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.3907	0.809	3	130.3379	2.767	19	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.3040	4.722	2	130.3379	2.767	19	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	131.2093	1.102	3	130.3379	2.767	19	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.4423	1.061	4	129.4423	1.125	4	128.0873	10.046	157	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.1220	0.000	1	128.1220	0.000	1	128.1220	0.000	1	128.1378	9.258	199	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	129.3805	3.109	4	129.3805	9.665	4	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	122.7710	0.000	1	122.7710	0.000	1	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	124.0280	0.000	1	124.0280	0.000	1	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](N[6a]C[6a])(N[6a]N[6a])(NC[6a]H){2|C<3>}	131.0350	0.000	1	131.0350	0.000	1	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,1|N<2>,1|S<2>}	126.4340	0.000	1	128.9850	13.015	2	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){2|Cl<1>,1|N<2>}	131.5360	0.000	1	128.9850	13.015	2	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	131.5200	0.000	1	131.5200	0.000	1	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	129.4675	1.811	2	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	129.5140	0.011	2	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|N<3>}	125.3435	0.992	4	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|Cl<1>,1|N<2>,1|O<2>}	130.7310	2.400	4	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,1|N<2>,1|N<3>}	129.0320	0.000	1	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|H<1>,2|C<3>}	130.4185	1.030	2	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	132.2130	0.000	1	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|C<4>}	131.1164	0.535	5	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	129.3904	1.370	5	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	127.1385	2.409	8	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){2|Cl<1>,1|N<2>}	130.2990	1.765	2	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	132.4580	0.000	1	129.1092	6.209	37	128.9763	7.403	47	128.9763	7.403	47	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	131.4070	0.000	1	131.4070	0.000	1	130.7355	0.902	2	130.7355	0.902	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(NC[6a]H){2|C<3>}	130.0640	0.000	1	130.0640	0.000	1	130.7355	0.902	2	130.7355	0.902	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|H<1>,1|N<2>}	129.0270	0.000	1	129.0270	0.000	1	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	126.4956	2.322	8	126.4956	5.390	8	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	126.7773	3.398	3	129.3246	10.045	16	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	127.0552	2.990	5	129.3246	10.045	16	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	131.6983	0.466	8	129.3246	10.045	16	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	123.3060	1.738	2	125.8890	15.429	4	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	125.5930	0.000	1	125.8890	15.429	4	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){3|C<3>}	131.3510	0.000	1	125.8890	15.429	4	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	124.6030	1.045	2	124.6030	1.092	2	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	115.4020	0.000	1	115.4020	0.000	1	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	131.4430	0.000	1	131.4430	0.000	1	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	130.3575	0.746	4	130.1484	0.636	5	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	129.3120	0.000	1	130.1484	0.636	5	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	126.4650	3.658	3	126.4650	13.382	3	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	122.3510	0.000	1	122.3510	0.000	1	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	126.0890	0.000	1	126.0890	0.000	1	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(NC[6a]H){1|C<3>,1|H<1>}	130.7870	0.602	2	130.7870	0.363	2	127.7765	13.708	45	127.7765	13.708	45	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.8792	0.651	4	124.8792	0.423	4	124.8792	0.423	4	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	123.4960	0.000	1	123.4960	0.000	1	129.0249	9.287	8	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.8147	2.239	7	129.8147	5.012	7	129.0249	9.287	8	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6,6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.3510	0.000	1	123.3510	0.000	1	123.3510	0.000	1	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	124.0530	0.000	1	124.0530	0.000	1	124.8480	1.264	2	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.6430	0.000	1	125.6430	0.000	1	124.8480	1.264	2	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.9800	0.000	1	123.8380	0.682	4	123.8380	0.682	4	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.4573	0.393	3	123.8380	0.682	4	123.8380	0.682	4	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,3|C<3>}	130.9750	0.000	1	131.7023	2.282	3	131.7023	2.282	3	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	133.4390	0.000	1	131.7023	2.282	3	131.7023	2.282	3	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	130.6930	0.000	1	131.7023	2.282	3	131.7023	2.282	3	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	123.1278	2.456	4	123.1278	6.034	4	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	124.8670	0.000	1	124.8670	0.000	1	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.9060	0.000	1	128.9060	0.000	1	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	128.4640	0.000	1	128.4640	0.000	1	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	127.6490	0.000	1	127.6490	0.000	1	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	126.8254	1.444	7	126.8254	2.084	7	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.9530	0.000	1	127.2250	0.148	2	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.4970	0.000	1	127.2250	0.148	2	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.7680	0.000	1	125.0165	3.118	2	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.2650	0.000	1	125.0165	3.118	2	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|Br<1>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.2120	0.000	1	123.8516	2.289	7	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	122.6010	0.141	2	123.8516	2.289	7	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.1368	1.675	4	123.8516	2.289	7	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	119.4810	0.000	1	119.4810	0.000	1	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	129.8880	0.000	1	129.8880	0.000	1	125.3924	6.979	28	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.6050	1.690	3	128.6050	2.857	3	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.4050	0.000	1	122.4050	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	127.6910	0.000	1	127.6910	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.7049	2.156	14	127.5920	4.507	15	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.0120	0.000	1	127.5920	4.507	15	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]C[6])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.7265	1.247	2	125.7265	1.554	2	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.3500	0.000	1	123.3500	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.1300	0.000	1	123.1300	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	123.9700	0.000	1	123.9700	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.5820	2.527	2	122.5820	6.387	2	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	126.0145	0.392	2	127.2833	2.203	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	128.6450	0.000	1	127.2833	2.203	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.4590	0.000	1	127.2833	2.203	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	122.8710	0.000	1	122.8710	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	124.1410	0.000	1	125.4677	6.951	69	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	125.5504	1.907	35	125.4677	6.951	69	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	123.6323	4.484	12	125.4677	6.951	69	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	126.4419	1.809	21	125.4677	6.951	69	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	124.8683	3.922	12	124.8683	15.379	12	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	123.6273	1.819	4	123.3168	2.193	25	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	123.2576	1.453	21	123.3168	2.193	25	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	127.4910	0.000	1	122.1426	52.843	5	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	120.8055	7.651	4	122.1426	52.843	5	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|C<4>}	121.4800	0.000	1	121.4800	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	123.1530	2.970	2	122.9403	4.546	3	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	122.5150	0.000	1	122.9403	4.546	3	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.7353	1.117	3	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.5905	0.774	2	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	128.0540	0.000	1	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	126.6520	2.022	16	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|C<4>}	128.1810	0.000	1	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.9921	1.941	28	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	128.1072	0.628	8	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|H<1>,2|C<3>}	126.6630	0.328	2	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.7537	2.717	6	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.7643	1.226	8	127.0354	3.241	75	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	128.5520	0.000	1	128.5520	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	127.3763	3.065	3	127.3763	9.396	3	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.2826	1.398	5	123.7476	5.742	8	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.5227	3.840	3	123.7476	5.742	8	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	126.7023	0.911	6	126.7023	0.830	6	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	123.2700	0.000	1	123.2700	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	126.8063	1.982	4	126.7438	2.966	5	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	126.4940	0.000	1	126.7438	2.966	5	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	123.7950	0.000	1	125.0315	3.058	2	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.2680	0.000	1	125.0315	3.058	2	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H)	C[6a](C[6a]C[6a]F)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|F<1>}	127.0570	0.000	1	127.0570	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]F)2(NC[6a]H){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.0045	0.177	2	126.0045	0.032	2	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	129.9720	0.000	1	127.4847	7.978	3	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	126.2410	2.584	2	127.4847	7.978	3	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.8807	2.466	3	122.3859	2.712	14	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.0295	1.668	8	122.3859	2.712	14	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.8417	0.793	3	122.3859	2.712	14	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	127.8900	0.000	1	124.8456	10.468	10	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	123.6820	0.000	1	124.8456	10.468	10	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	121.7207	1.112	4	124.8456	10.468	10	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	127.5002	2.052	4	124.8456	10.468	10	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	129.5670	0.000	1	128.7738	3.240	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	127.6285	2.056	2	128.7738	3.240	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	130.2710	0.000	1	128.7738	3.240	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	136.5040	0.000	1	136.5040	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(NC[6a]H){1|C<3>,1|N<2>}	120.9520	0.000	1	120.9520	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	128.8516	1.384	5	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|O<2>}	128.5655	2.163	2	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	125.2100	1.085	2	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.4923	1.713	13	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|S<2>}	120.7230	0.000	1	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|S<6>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.1560	0.000	1	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	124.0850	0.000	1	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.8676	2.035	16	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.8155	0.402	2	126.3183	4.702	43	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a,6a]C)(C[6a]O[6a]O)(NC[6a]H){2|C<3>}	132.9990	0.000	1	132.9990	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	131.5700	0.000	1	131.5700	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	129.0610	0.000	1	126.4565	4.370	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.3460	0.000	1	126.4565	4.370	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	126.4750	0.000	1	126.4565	4.370	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){3|C<3>}	123.9440	0.000	1	126.4565	4.370	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.6178	1.564	4	122.6178	2.447	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	128.4170	2.243	2	128.4170	5.031	2	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	121.1520	0.000	1	121.1520	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	121.9180	0.000	1	121.9180	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.8605	1.077	2	126.6433	4.071	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	123.8250	0.000	1	126.6433	4.071	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.0270	0.000	1	126.6433	4.071	4	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){2|Cl<1>,1|N<2>}	124.0870	0.000	1	124.0870	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	126.6765	0.684	2	127.7747	4.279	68	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.8083	1.585	3	127.7747	4.279	68	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	127.7877	2.103	59	127.7747	4.279	68	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|N<3>}	129.1323	2.624	3	127.7747	4.279	68	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|N<2>,2|H<1>}	128.0300	0.000	1	127.7747	4.279	68	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]N)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)2(NC[6a]H){1|C<3>,2|H<1>}	128.3535	1.405	2	128.3535	1.974	2	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]C)(NC[6a]H){1|H<1>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	126.1170	0.000	1	126.1170	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.5532	0.357	5	122.5532	0.127	5	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	124.3850	0.000	1	124.3850	0.000	1	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	126.5983	1.243	3	126.5983	1.544	3	126.0365	8.152	426	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](N[6a]C[6a,6a]H)(C[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	130.5210	0.000	1	130.5210	0.000	1	130.5210	0.000	1	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(O)	C[6a](C[6a]C[6a]2)2(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]O)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]2)2(NC[6a]O){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|N<2>,2|H<1>}	123.0840	0.410	2	123.0840	0.168	2	123.4822	0.350	4	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(O)	C[6a](C[6a]C[6a]C)2(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]O)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]C)2(NC[6a]O){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|N<2>,2|H<1>}	124.2330	0.000	1	124.2330	0.000	1	123.4822	0.350	4	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-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)2(O)	C[6a](C[6a]C[6a]H)2(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]O)	N(C[6a]C[6a]2)2(O)	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|N<2>,2|H<1>}	123.5280	0.000	1	123.5280	0.000	1	123.4822	0.350	4	126.0337	8.310	481	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.0918	0.509	8	122.2203	0.375	9	122.3818	0.935	17	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|N<2>,2|H<1>}	123.2490	0.000	1	122.2203	0.375	9	122.3818	0.935	17	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CMo)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CMo)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.4210	0.000	1	120.4210	0.000	1	122.3818	0.935	17	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	123.2077	0.530	6	123.2077	0.280	6	122.3818	0.935	17	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CW)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CW)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.8400	0.000	1	120.8400	0.000	1	122.3818	0.935	17	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(GeMo)	C[6a](C[6a]C[6a]C)2(NC[6a]Ge)	C[6a](C[6a]C[6a]H)2(NC[6a]Ge)	N(C[6a]C[6a]2)2(GeMo)	C[6a](C[6a]C[6a]C)2(NC[6a]Ge){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]Ge){1|C<3>,2|H<1>}	112.6620	0.000	1	112.6620	0.000	1	112.6620	0.000	1	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NC)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	120.9955	0.836	15	120.9955	0.698	15	121.7032	2.048	45	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NMo)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NMo)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	121.7361	0.650	7	121.7361	0.422	7	121.7032	2.048	45	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NNb[5])	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	123.8186	0.907	5	123.8186	0.822	5	121.7032	2.048	45	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NRu)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NRu)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	118.9160	0.438	2	118.9160	0.192	2	121.7032	2.048	45	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NTi)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NTi)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	121.9243	1.306	15	121.9243	1.705	15	121.7032	2.048	45	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NV)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NV)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	123.7710	0.000	1	123.7710	0.000	1	121.7032	2.048	45	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:2:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]O)	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>}	C[6a](C[6a]C[6a]H)2(NC[6a]O){1|C<3>,2|H<1>}	118.5080	0.000	1	118.5080	0.000	1	118.5080	0.000	1	121.6923	3.251	64	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	118.3274	2.137	5	118.3274	4.567	5	118.9010	3.456	8	118.9010	3.456	8	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:2:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)3	C[6a](N[6a]N[6a])2(NC[6a]2)	C[6a](N[6a]N[6a])2(NC[6a]2)	N(C[6a]N[6a]2)3	C[6a](N[6a]N[6a])2(NC[6a]2){1|C<3>}	C[6a](N[6a]N[6a])2(NC[6a]2){1|C<3>}	119.8570	0.877	3	119.8570	0.770	3	118.9010	3.456	8	118.9010	3.456	8	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.6940	6.693	2	120.6940	44.803	2	120.4333	22.605	3	120.7816	6.651	14	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.9120	0.000	1	119.9120	0.000	1	120.4333	22.605	3	120.7816	6.651	14	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	N[6a]-2:S[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.3250	0.000	1	117.3250	0.000	1	117.3250	0.000	1	120.7816	6.651	14	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	121.1685	2.812	4	121.1685	7.909	4	121.2317	2.991	10	120.7816	6.651	14	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	121.2738	0.796	6	121.2738	0.633	6	121.2317	2.991	10	120.7816	6.651	14	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:3:3:	2:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.2740	1.175	2	118.2740	1.381	2	118.2740	1.381	2	118.2740	1.381	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<2>,2|N<3>}	122.0060	0.404	2	121.8985	4.091	4	121.4870	5.835	10	121.4870	5.835	10	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](N[6a]C[6a,6a])2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a,6a])2(NC[6a]2){1|N<3>,2|N<2>}	121.7910	3.473	2	121.8985	4.091	4	121.4870	5.835	10	121.4870	5.835	10	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	120.0380	4.281	2	121.2127	7.823	6	121.4870	5.835	10	121.4870	5.835	10	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|O<2>}	121.8000	2.356	4	121.2127	7.823	6	121.4870	5.835	10	121.4870	5.835	10	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CSS)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	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[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	116.1174	0.739	5	116.1174	0.547	5	116.1174	0.547	5	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	124.6340	0.000	1	124.6340	0.000	1	120.9123	11.851	26	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	125.6540	0.000	2	125.6540	0.000	2	120.9123	11.851	26	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	119.9000	0.000	1	122.0257	7.052	12	120.9123	11.851	26	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	123.7770	0.529	3	122.0257	7.052	12	120.9123	11.851	26	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	121.6346	2.978	8	122.0257	7.052	12	120.9123	11.851	26	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	116.7274	1.808	5	116.7274	3.267	5	120.9123	11.851	26	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a]N[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	119.9722	2.796	6	119.9722	7.815	6	120.9123	11.851	26	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P)	N(C[6a]C[6a]N[6a])2(PC[6]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]P){1|C<3>,2|H<1>}	118.0590	0.000	1	118.0590	0.000	1	118.0590	0.000	1	120.0739	12.874	32	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a]C)2(NC[6a]C)	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[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	119.3470	0.281	2	119.3470	0.079	2	118.2964	2.378	9	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.1290	0.011	2	120.1290	0.000	2	118.2964	2.378	9	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.1418	1.059	4	117.1432	0.842	5	118.2964	2.378	9	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.1490	0.000	1	117.1432	0.842	5	118.2964	2.378	9	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.4055	0.743	2	120.4055	0.552	2	120.0963	0.563	3	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2){4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.4780	0.000	1	119.4780	0.000	1	120.0963	0.563	3	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.6750	0.133	3	119.6750	0.018	3	119.6750	0.018	3	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a,6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	117.0145	0.214	4	117.0145	0.046	4	117.0145	0.046	4	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]2){1|C<3>,2|H<1>}	117.9765	0.431	2	117.9765	0.185	2	118.8438	2.528	24	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.0235	1.462	2	118.9226	2.682	22	118.8438	2.528	24	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	117.9305	0.597	4	118.9226	2.682	22	118.8438	2.528	24	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.3470	1.776	2	118.9226	2.682	22	118.8438	2.528	24	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|F<1>,1|N<3>}	119.8132	2.044	4	118.9226	2.682	22	118.8438	2.528	24	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.4062	1.465	8	118.9226	2.682	22	118.8438	2.528	24	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]N[6a])2(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|N<3>}	116.6655	0.380	2	118.9226	2.682	22	118.8438	2.528	24	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](C[6a]N[6a]C[5])(N[6a]C[6a,6a])(NC[6a]N){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	119.3490	0.000	1	119.3490	0.000	1	119.3490	0.000	1	118.7191	2.346	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:Ge[4]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(Ge[4]N[4,6]N[4])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]Ge[4])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	121.7850	0.000	1	121.7850	0.000	1	121.7850	0.000	1	121.0755	1.007	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:2:	Ge[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(Ge[6]N[6,6a]N[6,6])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a])	N(Ge[6]N[6,6a]N[6,6])(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]Ge[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	120.3660	0.000	1	120.3660	0.000	1	120.3660	0.000	1	121.0755	1.007	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:2:	3:3:3:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	117.4060	0.000	1	117.4060	0.000	1	117.4060	0.000	1	117.4060	0.000	1	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]Cl)2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	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[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,2|H<1>}	118.2880	0.000	1	118.2880	0.000	1	117.0765	2.935	2	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	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[6a](N[6a]C[6a])2(NC[6a]C){1|C<3>,2|H<1>}	115.8650	0.000	1	115.8650	0.000	1	117.0765	2.935	2	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	121.6840	2.977	4	120.7441	8.914	10	120.9270	6.709	27	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)(C[6a]N[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	120.1175	3.090	6	120.7441	8.914	10	120.9270	6.709	27	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	117.5585	0.258	2	121.0345	5.854	17	120.9270	6.709	27	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|C<3>}	121.9390	0.383	2	121.0345	5.854	17	120.9270	6.709	27	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|N<3>}	121.5095	2.413	10	121.0345	5.854	17	120.9270	6.709	27	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]2){1|N<2>,2|O<2>}	121.6210	0.000	1	121.0345	5.854	17	120.9270	6.709	27	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](N[6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]2){2|Cl<1>,1|N<2>}	120.9380	3.555	2	121.0345	5.854	17	120.9270	6.709	27	120.6614	7.320	29	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:2:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	N-3:N[6a]-2:N[6a]-2:	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](NC[6a]C[5])(N[6a]C[6a])2	N(C[5]C[5,5a]C[5])(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](NC[6a]C[5])(N[6a]C[6a])2{1|C<3>,2|H<1>}	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	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[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C)	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[6a](C[6a]C[6a]O)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	116.1270	0.000	1	116.1270	0.000	1	116.1270	0.000	1	119.2006	4.593	7	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]2){1|C<3>,2|H<1>}	117.4920	0.692	2	117.4920	0.478	2	117.4920	0.478	2	119.2006	4.593	7	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2){4|C<3>}	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	119.2006	4.593	7	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(NC[6a]2){1|H<1>,4|C<3>}	121.1410	0.158	3	121.1410	0.025	3	121.1410	0.025	3	119.2006	4.593	7	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(NC[6a]C[6]){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	120.3735	0.383	2	120.3735	0.146	2	120.3735	0.146	2	120.3735	0.146	2	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[5]C[5,6a]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[5])	C[6a](C[6a]C[6a]H)2(NC[6a]B[5])	N(B[5]C[5,6a]P[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[5]){1|C<3>,2|H<1>}	114.5010	0.000	1	114.5010	0.000	1	114.5010	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	B[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	N(B[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	119.4762	0.489	6	119.4762	0.239	6	119.4762	0.239	6	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[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:C[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])	C[6a](C[6a]C[6a]H)2(NB[6a]C[6a])	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>}	C[6a](C[6a]C[6a]H)2(NB[6a]C[6a]){1|C<3>,2|H<1>}	120.4290	0.264	2	120.4290	0.070	2	120.4290	0.070	2	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[4a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a])	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a])	N(C[4a]C[4a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[4a]C[6a]){1|C<3>,2|H<1>}	118.6490	0.000	1	118.6490	0.000	1	118.6490	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5]N[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	N(C[5]N[5]O[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	118.7505	0.583	2	118.7505	0.340	2	119.8857	4.036	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5]Se[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	N(C[5]Se[5]C[5])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	122.1560	0.000	1	122.1560	0.000	1	119.8857	4.036	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	120.2959	1.468	26	120.2959	2.155	26	120.3268	2.411	28	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	123.0580	0.000	1	123.0580	0.000	1	120.3268	2.411	28	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	118.3980	0.000	1	118.3980	0.000	1	120.3268	2.411	28	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	115.4243	0.248	3	115.6770	0.300	5	115.6770	0.300	5	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6]C[6]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	116.0560	0.772	2	115.6770	0.300	5	115.6770	0.300	5	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(BCC)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	N(C[6a]C[6a]2)2(BCC)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	113.4797	0.393	3	113.4797	0.154	3	114.1239	1.974	10	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	N(C[6a]C[6a]2)2(BC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	113.7318	1.150	4	113.7318	1.323	4	114.1239	1.974	10	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(BClFe)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	N(C[6a]C[6a]2)2(BClFe)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	113.0490	0.000	1	113.0490	0.000	1	114.1239	1.974	10	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(BHN)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	N(C[6a]C[6a]2)2(BHN)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	116.4120	0.000	2	116.4120	0.000	2	114.1239	1.974	10	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(B[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B[5])	C[6a](C[6a]C[6a]H)2(NC[6a]B[5])	N(C[6a]C[6a]2)2(B[5]C[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]B[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[5]){1|C<3>,2|H<1>}	111.5490	0.000	1	111.5490	0.000	1	111.5490	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	115.2170	0.000	1	115.2170	0.000	1	115.7123	0.346	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	115.9600	0.569	2	115.9600	0.323	2	115.7123	0.346	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6,6a]-3:C[6a]-3:N-3:	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[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	118.4830	0.000	1	118.4830	0.000	1	118.4830	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCN)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.2710	0.341	2	117.2710	0.116	2	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.0770	0.055	2	116.4887	0.510	3	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.3120	0.000	1	116.4887	0.510	3	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.2057	2.127	3	117.2618	1.543	8	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	118.3610	0.000	1	117.2618	1.543	8	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.0290	0.326	4	117.2618	1.543	8	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.2270	0.470	2	117.2270	0.220	2	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	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[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	117.3140	0.000	1	117.3140	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.3602	1.229	37	116.3602	1.511	37	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.2710	0.000	1	116.2710	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.8462	0.920	6	116.8462	0.846	6	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]C)2(NC[6a]C)	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[6a](C[6a]C[6a]C)2(NC[6a]C){1|C<3>,2|H<1>}	116.6000	0.000	1	116.6000	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	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[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	115.2590	0.000	1	115.2590	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.1285	1.068	4	120.1285	1.140	4	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.4837	0.780	3	117.4837	0.609	3	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.3290	0.000	1	116.6515	0.208	2	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.9740	0.000	1	116.6515	0.208	2	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.6460	0.000	1	116.6460	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.2013	0.993	10	117.2013	0.985	10	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.3490	0.000	1	118.3490	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	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[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.0910	0.000	1	116.0910	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CClO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.0070	0.000	1	117.0070	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHN)	C[6a](C[6a]C[6a]C)2(NC[6a]C)	C[6a](C[6a]C[6a]F)2(NC[6a]C)	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[6a](C[6a]C[6a]F)2(NC[6a]C){1|C<3>,2|F<1>}	120.2500	0.000	1	120.2500	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.0604	0.723	68	117.0604	0.523	68	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.0290	0.000	1	117.6056	0.458	8	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.5451	0.707	7	117.6056	0.458	8	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CNS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	116.1562	0.858	24	116.1562	0.737	24	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CN[5]O)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.9350	1.727	2	117.9350	2.982	2	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.6830	0.000	1	116.6830	0.000	1	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(COS)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	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[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.4973	1.022	6	117.4973	1.044	6	116.9296	1.263	195	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	N(C[6a]C[6a]2)2(C[4]C[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	118.6070	0.000	1	118.6070	0.000	1	117.9950	0.792	5	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[4]N[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	N(C[6a]C[6a]2)2(C[4]N[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	118.5035	0.582	2	118.5035	0.339	2	117.9950	0.792	5	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[4]S[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	C[6a](C[6a]C[6a]H)2(NC[6a]C[4])	N(C[6a]C[6a]2)2(C[4]S[4]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[4]){1|C<3>,2|H<1>}	117.1805	0.783	2	117.1805	0.613	2	117.9950	0.792	5	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	N(C[6a]C[6a]2)2(C[5]O[5]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	119.3000	0.000	1	119.3000	0.000	1	119.3000	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	120.8670	0.000	1	120.8670	0.000	1	118.6758	1.647	9	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6a]C[6a]2)2(C[6]C[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	118.3935	0.828	6	118.3935	0.685	6	118.6758	1.647	9	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6a]C[6a]2)2(C[6]N[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	116.9530	0.000	1	116.9530	0.000	1	118.6758	1.647	9	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6]O[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6a]C[6a]2)2(C[6]O[6]2)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	119.9010	0.000	1	119.9010	0.000	1	118.6758	1.647	9	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.9445	3.815	2	118.9445	14.553	2	118.9445	14.553	2	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6,6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])(NC[6a]2){1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.5660	0.045	2	117.5660	0.002	2	117.5660	0.002	2	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.3415	1.097	18	118.3415	1.204	18	118.3415	1.204	18	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	116.0430	0.177	2	116.0430	0.031	2	116.3363	0.274	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	116.9230	0.000	1	116.9230	0.000	1	116.3363	0.274	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[5a,6a]H)(NC[6a]2){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.0720	1.501	4	119.0720	2.253	4	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.0205	0.375	2	118.0205	0.141	2	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.1167	1.132	4	119.1167	1.282	4	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,1|N<2>,3|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	120.1390	1.998	2	120.1390	3.993	2	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	115.2430	2.389	2	115.2430	5.705	2	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.8500	2.225	6	118.8500	4.951	6	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.3770	1.259	4	120.3770	1.584	4	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	121.4480	0.020	2	121.4480	0.000	2	119.1178	4.085	26	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6a]2){2|H<1>,5|C<3>}	118.0905	2.485	2	118.0905	6.178	2	118.0905	6.178	2	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	122.0280	0.000	1	122.0280	0.000	1	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.2080	0.000	1	120.2080	0.000	1	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.1180	0.000	1	118.1180	0.000	1	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	122.0385	2.395	2	122.0385	5.736	2	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]2)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	123.4270	1.077	8	123.4270	1.160	8	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	124.8380	0.000	1	124.8380	0.000	1	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	116.1590	0.000	1	116.1590	0.000	1	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	119.0240	0.000	1	119.0240	0.000	1	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.9769	1.746	8	120.9769	3.047	8	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.1953	0.260	3	118.1953	0.067	3	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.4255	1.265	2	117.4801	0.937	14	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)2(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.4893	0.981	12	117.4801	0.937	14	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	117.7875	0.091	2	117.7875	0.008	2	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|B<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.7470	3.102	4	119.7990	4.152	98	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.6979	1.971	82	119.7990	4.152	98	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.4197	2.124	4	119.7990	4.152	98	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.0500	2.363	8	119.7990	4.152	98	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]N)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.9855	1.921	4	118.9855	3.690	4	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.8685	3.023	2	118.6385	4.874	4	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.4085	2.296	2	118.6385	4.874	4	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.8000	1.618	6	119.8000	2.619	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	120.4407	1.728	4	120.6759	2.256	13	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	120.7804	1.491	9	120.6759	2.256	13	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.3266	2.157	14	119.9432	3.682	34	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	121.5877	1.228	4	119.9432	3.682	34	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.3353	0.995	4	119.9432	3.682	34	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.4838	1.589	12	119.9432	3.682	34	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.7768	2.057	6	118.7768	4.232	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.9085	1.028	10	120.3592	2.947	38	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.1630	1.880	28	120.3592	2.947	38	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.9360	1.485	2	118.2550	2.372	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.9145	1.660	4	118.2550	2.372	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	117.2650	1.188	4	117.2650	1.412	4	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.4340	1.874	2	117.4340	3.511	2	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	118.1746	1.556	14	118.1746	2.422	14	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.2360	0.000	1	118.8607	2.473	3	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.1730	1.452	2	118.8607	2.473	3	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.2434	1.656	8	119.2434	2.743	8	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(NC[6a]2){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	116.1405	1.603	2	116.1405	2.570	2	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6a]2){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.6382	0.590	4	118.6382	0.348	4	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Cl)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.2360	2.143	2	117.2360	4.590	2	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]F)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,1|F<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.0697	1.545	4	118.0697	2.388	4	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	115.4440	0.693	9	115.4440	0.481	9	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]C)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]2){1|C<3>,2|H<1>}	118.1930	0.853	2	118.1930	0.727	2	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	117.4860	1.391	6	117.4860	1.934	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.3743	2.192	4	119.2358	4.671	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.9590	0.173	2	119.2358	4.671	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)2(NC[6a]2){3|C<3>}	120.4603	1.495	12	120.4603	2.235	12	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.1197	1.177	4	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.4916	1.421	14	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	122.5620	0.000	1	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.6832	0.850	6	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	117.6050	0.000	1	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	121.2094	1.717	20	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	121.0770	0.140	2	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,1|H<1>,1|S<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.0895	1.087	4	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	116.8285	0.974	2	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.7044	1.944	1518	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|O<2>}	122.1515	1.257	2	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|H<1>,2|C<3>}	120.2440	2.423	2	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|C<3>}	117.9525	1.917	2	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|H<1>}	118.2403	1.388	4	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){3|C<3>}	118.5245	1.882	4	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	120.3174	1.112	8	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|C<3>}	123.5850	0.000	1	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|N<2>,2|H<1>}	121.3760	2.079	5	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.7237	2.539	6	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|Ru<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.7580	0.099	2	119.7325	3.777	1608	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	116.7675	1.006	6	116.7675	1.013	6	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]2){1|H<1>,2|C<3>}	126.4393	0.521	3	126.4393	0.271	3	119.6921	4.026	1947	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge[6]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(Ge[6]N[6]2)	C[6a](C[6a]C[6a]F)2(NC[6a]Ge[6])	C[6a](C[6a]C[6a]F)2(NC[6a]Ge[6])	N(C[6a]C[6a]2)2(Ge[6]N[6]2)	C[6a](C[6a]C[6a]F)2(NC[6a]Ge[6]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]F)2(NC[6a]Ge[6]){1|C<3>,2|F<1>}	116.7020	0.000	1	116.7020	0.000	1	116.7020	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NCH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	123.8400	0.000	1	123.8400	0.000	1	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	125.7613	1.110	4	125.1617	1.618	6	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|N<2>,2|H<1>}	123.9625	0.279	2	125.1617	1.618	6	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NHH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	124.2097	0.439	3	124.2097	0.193	3	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NMoH)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NMoH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	122.3460	0.000	1	122.3460	0.000	1	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NTiC)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NTiC)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	124.9284	0.917	5	124.9284	0.841	5	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NTiH)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NTiH)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	123.8060	0.528	2	123.8060	0.278	2	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NTiP)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NTiP)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	121.0680	0.000	1	121.0680	0.000	1	124.3741	1.857	19	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PCN)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	N(C[6a]C[6a]2)2(PCN)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	116.8450	0.000	1	116.8450	0.000	1	116.4117	4.919	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	N(C[6a]C[6a]2)2(PC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	118.3810	0.000	1	118.3810	0.000	1	116.4117	4.919	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PClC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	N(C[6a]C[6a]2)2(PClC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	114.0090	0.000	1	114.0090	0.000	1	116.4117	4.919	3	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P[5]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(P[5]C[5]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	N(C[6a]C[6a]2)2(P[5]C[5]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	117.3700	0.000	1	117.3700	0.000	1	117.3700	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Si-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(SiSi2)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	N(C[6a]C[6a]2)2(SiSi2)	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	116.5190	0.000	1	116.5190	0.000	1	116.5190	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	Ge[5a]-3:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	N(Ge[5a]N[5a]2)(C[6a]C[6a]2)2	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2	N(Ge[5a]N[5a]2)(C[6a]C[6a]2)2	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](NGe[5a]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	117.4770	0.000	1	117.4770	0.000	1	117.4770	0.000	1	119.4172	4.718	2297	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.2760	0.000	1	121.8536	0.386	18	121.8536	0.386	18	121.8536	0.386	18	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.3130	0.000	1	121.8536	0.386	18	121.8536	0.386	18	121.8536	0.386	18	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	2:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-2:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|N<3>,2|C<3>}	121.7984	0.639	16	121.8536	0.386	18	121.8536	0.386	18	121.8536	0.386	18	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	123.3360	0.000	1	123.3360	0.000	1	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	123.0525	0.029	2	122.8758	0.859	10	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	122.8316	1.046	8	122.8758	0.859	10	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	121.5420	0.780	3	121.5420	0.609	3	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	122.4320	0.000	1	122.4320	0.000	1	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	124.8130	0.000	1	124.8130	0.000	1	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	124.1750	0.000	1	124.1750	0.000	1	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	125.3330	0.000	1	125.3330	0.000	1	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.8311	2.670	67	119.1669	7.887	73	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	122.5896	0.753	5	119.1669	7.887	73	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	124.5540	0.000	1	119.1669	7.887	73	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.7400	0.000	1	119.7400	0.000	1	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|N<3>}	117.7678	1.523	8	117.7678	2.318	8	119.7454	8.617	100	119.7454	8.617	100	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.5800	0.000	1	119.5800	0.000	1	119.7725	0.371	4	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5a,6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.8367	0.729	3	119.8367	0.531	3	119.7725	0.371	4	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.0474	0.537	9	121.1930	0.468	10	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.5030	0.000	1	121.1930	0.468	10	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.8020	0.000	1	121.8020	0.000	1	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.4690	0.000	1	122.4690	0.000	1	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	124.7420	0.000	1	122.9379	6.016	8	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	122.5620	0.000	1	122.9379	6.016	8	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	123.8620	1.219	3	122.9379	6.016	8	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	122.3420	0.000	1	122.9379	6.016	8	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	124.7640	0.000	1	122.9379	6.016	8	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.5070	0.000	1	122.9379	6.016	8	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.0973	0.640	4	120.9298	2.967	22	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.4298	1.162	13	120.9298	2.967	22	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	123.2430	0.000	1	120.9298	2.967	22	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.5590	0.929	4	120.9298	2.967	22	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|N<3>,2|C<3>}	119.4772	1.009	8	119.4772	1.018	8	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	121.0747	1.370	15	121.2435	2.017	17	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.4190	0.000	1	121.2435	2.017	17	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	123.6000	0.000	1	121.2435	2.017	17	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.7815	1.600	2	122.2748	0.889	6	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.9910	0.000	1	122.2748	0.889	6	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.0830	0.000	1	122.2748	0.889	6	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	123.0060	0.461	2	122.2748	0.889	6	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.6910	0.000	1	119.6910	0.000	1	121.2224	2.920	74	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](N[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.8060	0.000	1	118.8060	0.000	1	118.8060	0.000	1	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S)	C[6a](C[6a]C[6a]H)2(NC[6a]S)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[5a,6a]C[6a])(N[6a]C[6a])(NC[6a]S){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	115.6930	0.000	1	115.6930	0.000	1	116.3040	0.747	2	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S)	C[6a](C[6a]C[6a]H)2(NC[6a]S)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a]C[6a]2)(N[6a]C[6a])(NC[6a]S){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	116.9150	0.000	1	116.9150	0.000	1	116.3040	0.747	2	120.9995	3.420	81	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	114.8200	0.000	1	114.8200	0.000	1	114.8200	0.000	1	116.4797	2.328	3	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	117.8210	0.000	1	117.8210	0.000	1	117.3095	0.523	2	116.4797	2.328	3	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(C[6]C[6]2Re)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(C[6]C[6]2Re)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,2|H<1>}	116.7980	0.000	1	116.7980	0.000	1	117.3095	0.523	2	116.4797	2.328	3	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	119.8805	0.163	2	121.3293	1.348	6	120.9972	2.251	19	120.9972	2.251	19	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	122.0538	0.373	4	121.3293	1.348	6	120.9972	2.251	19	120.9972	2.251	19	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	119.9202	1.103	8	119.9202	1.217	8	120.9972	2.251	19	120.9972	2.251	19	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	121.4813	0.563	3	122.3216	1.639	5	120.9972	2.251	19	120.9972	2.251	19	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](N[6a]C[6a])2(NC[6a]C)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]C){1|N<2>,2|N<3>}	123.5820	0.792	2	122.3216	1.639	5	120.9972	2.251	19	120.9972	2.251	19	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	2:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]2)(NC[6a]S){5|C<3>}	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	120.9680	0.000	1	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6a]C){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|O<2>}	120.6820	1.137	2	120.6820	1.293	2	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|H<1>,1|N<2>}	121.4090	0.000	1	121.4090	0.000	1	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.4558	1.172	6	119.4558	1.373	6	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	120.3645	0.828	4	119.8869	0.703	12	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.6481	0.784	8	119.8869	0.703	12	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	114.4660	0.000	1	114.4660	0.000	1	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.5376	1.262	5	119.5376	1.592	5	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.3267	1.163	10	119.3267	1.352	10	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.6203	1.985	3	118.1777	4.098	7	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	118.5958	2.242	4	118.1777	4.098	7	119.3367	2.418	44	119.3367	2.418	44	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(BC[5]Cl2)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	C[6a](C[6a]C[6a]H)2(NC[6a]B)	N(C[6a]C[6a]2)2(BC[5]Cl2)	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B){1|C<3>,2|H<1>}	115.1300	0.000	1	115.1300	0.000	1	115.1300	0.000	1	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:B[6]-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(B[6]C[6]2Y)	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	N(C[6a]C[6a]2)2(B[6]C[6]2Y)	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	114.7796	1.169	8	114.7796	1.366	8	114.7796	1.366	8	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]C){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.6600	0.000	1	118.6600	0.000	1	118.9277	0.173	3	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]C){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|C<4>}	118.7160	0.000	1	118.7160	0.000	1	118.9277	0.173	3	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]C){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.4070	0.000	1	119.4070	0.000	1	118.9277	0.173	3	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCCH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.3840	0.000	1	118.3840	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.4517	0.533	3	120.4517	0.285	3	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	115.8353	2.254	6	115.5609	4.760	7	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	113.9140	0.000	1	115.5609	4.760	7	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.8600	0.000	1	120.8600	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.2410	0.000	1	121.2410	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.8100	0.000	1	120.8100	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.9380	0.976	8	120.9380	0.953	8	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[4]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[4]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	117.0360	0.000	1	117.0360	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[5]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[5]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.4170	0.000	1	121.4170	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]C){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.7310	0.000	1	120.7310	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	119.9645	0.826	4	120.5236	2.075	5	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.7600	0.000	1	120.5236	2.075	5	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCaNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCaNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.7870	0.000	1	121.7870	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCeNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCeNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.6350	0.000	1	121.6350	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.8390	0.020	2	121.8390	0.000	2	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.1345	0.708	2	120.1345	0.501	2	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	113.5365	0.902	2	113.5365	0.813	2	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.9770	0.000	1	121.9770	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	112.3710	0.000	1	112.3710	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	116.8410	0.000	1	116.8410	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	121.3345	0.859	2	121.4322	0.281	4	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.5300	0.256	2	121.4322	0.281	4	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.8190	0.000	1	116.8190	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHN)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.0895	2.094	2	121.0895	4.384	2	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.9705	1.133	4	119.9705	1.284	4	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CIrHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C)	N(C[6a]C[6a]2)2(CIrHO)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	120.5920	0.000	1	120.5920	0.000	1	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CIrNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CIrNN)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.5348	2.133	9	120.5348	4.551	9	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CN[5]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CN[5]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.6860	0.146	2	119.6860	0.021	2	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CZrOO)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CZrOO)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.0830	0.168	2	118.0830	0.028	2	119.5767	6.807	66	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[6a]C[6a]N)(N[6a]C[6a]C)(NC[6a]C){1|N<3>,2|O<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	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>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	116.0280	0.000	1	116.0280	0.000	1	116.0280	0.000	1	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PBCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	N(C[6a]C[6a]2)2(PBCC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	114.6430	0.000	1	114.6430	0.000	1	115.4905	2.445	6	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PC[6a]SeN)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	N(C[6a]C[6a]2)2(PC[6a]SeN)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	114.6950	1.530	2	114.6950	2.341	2	115.4905	2.445	6	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PCl2W)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	C[6a](C[6a]C[6a]H)2(NC[6a]P)	N(C[6a]C[6a]2)2(PCl2W)	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]P){1|C<3>,2|H<1>}	114.3450	0.000	1	114.3450	0.000	1	115.4905	2.445	6	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	117.2825	0.405	2	117.2825	0.164	2	115.4905	2.445	6	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]S){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,1|C<4>,1|H<1>}	120.7690	0.000	1	120.7690	0.000	1	119.4737	1.286	3	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SCOO)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]N)(NC[6a]S){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]S){1|C<3>,2|H<1>}	118.9920	0.000	1	118.9920	0.000	1	119.4737	1.286	3	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S)	C[6a](C[6a]C[6a]H)2(NC[6a]S)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(SC[6a]OO)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])(NC[6a]S){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	118.6600	0.000	1	118.6600	0.000	1	119.4737	1.286	3	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)2(NC[6a]S)	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	118.8220	0.474	2	118.7840	0.117	3	118.0482	2.243	4	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S)	C[6a](C[6a]C[6a]H)2(NC[6a]S)	N(C[6a]C[6a]2)2(SCOO)	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]S){1|C<3>,2|H<1>}	118.7080	0.000	1	118.7840	0.117	3	118.0482	2.243	4	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:S-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S)	N(C[6a]C[6a]2)2(SC[6a]OO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]S){1|C<3>,2|H<1>}	115.8410	0.000	1	115.8410	0.000	1	118.0482	2.243	4	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(SiFeCC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	N(C[6a]C[6a]2)2(SiFeCC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	113.2703	0.046	4	113.2703	0.002	4	115.8017	9.191	8	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(SiN[6]CC)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	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>}	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	117.2900	0.000	3	117.2900	0.000	3	115.8017	9.191	8	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(SiRuCC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NC[6a]Si)	C[6a](C[6a]C[6a]H)2(NC[6a]Si)	N(C[6a]C[6a]2)2(SiRuCC)	C[6a](C[6a]C[6a]Ru)(C[6a]C[6a]H)(NC[6a]Si){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]Si){1|C<3>,2|H<1>}	121.4630	0.000	1	121.4630	0.000	1	115.8017	9.191	8	118.4973	8.620	101	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]2Lu)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	N(B[6]C[6]2Lu)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	116.2788	1.194	4	116.2788	1.425	4	116.1186	1.197	5	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	B[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(B[6]C[6]2Sm)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	C[6a](C[6a]C[6a]H)2(NC[6a]B[6])	N(B[6]C[6]2Sm)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]B[6]){1|C<3>,2|H<1>}	115.4780	0.000	1	115.4780	0.000	1	116.1186	1.197	5	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	N(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	117.6790	0.000	1	117.6790	0.000	1	117.7822	0.289	5	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	N(C[5]C[5,6a]O[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	117.1200	0.000	1	117.1200	0.000	1	117.7822	0.289	5	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	N(C[5]C[5]2Fe)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	117.8850	0.611	2	117.8850	0.373	2	117.7822	0.289	5	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	C[6a](C[6a]C[6a]H)2(NC[6a]C[5])	N(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[5]){1|C<3>,2|H<1>}	118.3420	0.000	1	118.3420	0.000	1	117.7822	0.289	5	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	117.2525	0.049	2	117.2525	0.002	2	117.2525	0.002	2	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(P[5]N[5,5]O[5]Cu)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	N(P[5]N[5,5]O[5]Cu)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	112.9645	0.371	2	112.9645	0.138	2	114.0457	3.576	3	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	116.2080	0.000	1	116.2080	0.000	1	114.0457	3.576	3	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	Si[4]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]Si[4])	C[6a](C[6a]C[6a]H)2(NC[6a]Si[4])	N(Si[4]N[4]2N)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]Si[4]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]Si[4]){1|C<3>,2|H<1>}	114.9820	0.956	2	114.9820	0.914	2	114.9820	0.914	2	116.2418	2.852	17	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	5:3:3:	3:3:3:	3:3:3:	Nb[4,4]-5:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	N(Nb[4,4]Nb[12x3,4,4]N[4]2N)(C[6a]C[6a]2)2	C[6a](NNb[4,4]C[6a])(C[6a]C[6a]H)2	C[6a](NNb[4,4]C[6a])(C[6a]C[6a]H)2	N(Nb[4,4]Nb[12x3,4,4]N[4]2N)(C[6a]C[6a]2)2	C[6a](NNb[4,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](NNb[4,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.3330	4.793	2	113.3330	22.971	2	113.3330	22.971	2	112.6255	9.865	4	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	5:3:3:	3:3:3:	3:3:3:	Si[3,4]-5:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-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	C[6a](NSi[3,4]C[6a])(C[6a]C[6a]H)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>}	C[6a](NSi[3,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.4380	0.000	1	113.4380	0.000	1	113.4380	0.000	1	112.6255	9.865	4	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP2_SP2_SP2	N	C[6a]	C[6a]	5:3:3:	3:3:3:	3:3:3:	Si[4,4]-5:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	N-3:C[6a]-3:C[6a]-3:	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2	N(Si[4,4]N[4]2O[4]2)(C[6a]C[6a]2)2	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	C[6a](NSi[4,4]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.3980	0.000	1	110.3980	0.000	1	110.3980	0.000	1	112.6255	9.865	4	121.2091	16.315	3750	121.2091	16.315	3750
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	N[6a]-2:N[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]C)(NC[6a]H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.6940	0.000	1	124.6940	0.000	1	124.6940	0.000	1	124.6940	0.000	1	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	122.2410	0.021	2	122.2410	0.000	2	123.4813	3.502	6	123.4813	3.502	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	121.3300	0.000	1	121.3300	0.000	1	123.4813	3.502	6	123.4813	3.502	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	126.3550	0.000	1	126.3550	0.000	1	123.4813	3.502	6	123.4813	3.502	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.3730	0.000	1	124.3730	0.000	1	123.4813	3.502	6	123.4813	3.502	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(NC[6a]H){1|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.3480	0.000	1	124.3480	0.000	1	123.4813	3.502	6	123.4813	3.502	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]F)(NC[6a]H){1|C<3>,2|C<4>,3|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|C<3>,2|H<1>}	123.7200	0.000	1	123.7200	0.000	1	123.9380	0.095	2	123.9380	0.095	2	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	2:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](N[6a]C[6a])2(NC[6a]H)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(NC[6a]H){1|N<2>,2|N<3>}	124.1560	0.000	1	124.1560	0.000	1	123.9380	0.095	2	123.9380	0.095	2	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	120.3090	1.783	2	120.3090	3.180	2	124.1130	16.049	6	124.1130	16.049	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	124.0720	0.000	1	124.0720	0.000	1	124.1130	16.049	6	124.1130	16.049	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]H){1|N<2>,2|N<3>}	128.7555	1.529	2	128.7555	2.339	2	124.1130	16.049	6	124.1130	16.049	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]H){1|C<3>,2|H<1>}	122.4770	0.000	1	122.4770	0.000	1	124.1130	16.049	6	124.1130	16.049	6	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.2990	0.000	1	125.2990	0.000	1	125.2990	0.000	1	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]N)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	125.4540	1.039	2	125.4540	1.080	2	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(NC[6a]H){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	120.1270	0.000	1	120.1270	0.000	1	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	122.2010	0.000	1	123.9295	5.975	2	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(NC[6a]H){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	125.6580	0.000	1	123.9295	5.975	2	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	124.0830	0.000	1	124.0830	0.000	1	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]N)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	121.7280	0.000	1	121.7280	0.000	1	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	120.1350	0.000	1	120.1350	0.000	1	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	121.3950	0.000	1	121.3950	0.000	1	122.9150	5.324	9	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	123.3050	0.000	1	123.3050	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	125.5560	0.000	1	125.5560	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	125.5985	0.282	2	124.3298	2.452	4	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	122.4140	0.000	1	124.3298	2.452	4	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	123.7080	0.000	1	124.3298	2.452	4	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	120.7260	0.000	1	120.7260	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	120.9160	0.000	1	122.4500	1.583	23	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]Cl)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(NC[6a]H){1|C<3>,2|H<1>}	122.5198	1.241	22	122.4500	1.583	23	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	121.1877	5.147	4	121.1877	26.491	4	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	117.3710	0.000	1	117.3710	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(NC[6a]H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	120.8400	0.000	1	120.8400	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	121.7750	1.228	2	121.7750	1.507	2	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	121.3620	0.000	1	121.3620	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>}	121.2648	1.899	4	121.2648	3.605	4	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]H){1|C<3>,2|H<1>}	124.9130	0.000	1	124.9130	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]H){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	124.1280	0.000	1	124.1280	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	121.3740	0.000	2	122.3327	8.650	7	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	C[6a](C[6a]C[6a]H)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]H){1|C<3>,2|H<1>}	122.7162	3.512	5	122.3327	8.650	7	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:1:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H)	C[6a](C[6a]C[6a]C)2(NC[6a]H)	N(C[6a]C[6a]2)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]H){1|Rh<8>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6a]H){1|C<3>,2|H<1>}	120.1390	0.000	1	120.1390	0.000	1	122.2962	5.171	53	122.4323	5.206	63	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	2:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	N[6a]-2:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(NCH)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]C)(NC[6a]N){2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	123.8070	0.000	1	123.8070	0.000	1	123.8070	0.000	1	123.8070	0.000	1	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[5a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a])	N(C[5a]C[5a]S[5a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[5a]C[6a]){1|C<3>,2|H<1>}	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6])	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6]C[6,6a]N[6])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C[6]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	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[6a]-3:N-3:	N(C[6a]C[6a]2)2(CNO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.4765	0.643	2	116.4765	0.413	2	116.4765	0.413	2	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6,6a]C[6,6a,6a]S[6])(C[6a]C[6,6a]H)(NC[6a]2){4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	116.5870	1.004	4	116.5870	1.009	4	116.5870	1.009	4	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	116.6610	0.000	1	116.6610	0.000	1	116.6610	0.000	1	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|C<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.8015	1.678	2	117.8015	2.816	2	118.1308	1.263	8	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.5355	0.530	2	118.5355	0.281	2	118.1308	1.263	8	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.3480	1.401	2	117.3480	1.964	2	118.1308	1.263	8	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])2(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.8380	1.004	2	118.8380	1.008	2	118.1308	1.263	8	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	119.1555	0.940	2	119.1555	0.883	2	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.7083	1.937	3	118.7083	3.754	3	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	117.1140	0.611	4	117.1140	0.373	4	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	120.5715	0.743	4	119.3883	5.160	6	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|S<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	117.0220	2.710	2	119.3883	5.160	6	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]2){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.6745	0.374	2	118.6745	0.140	2	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6a]2){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.2680	3.454	2	118.2680	11.927	2	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	116.9773	1.567	3	116.9773	2.455	3	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	116.7197	2.341	10	116.7197	5.478	10	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	117.9800	0.829	2	117.9800	0.687	2	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	115.7037	1.856	4	115.7037	3.446	4	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	116.5695	1.395	2	116.5695	1.946	2	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]2){1|C<3>,2|H<1>}	116.2254	1.672	27	116.2254	2.795	27	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|C<4>}	115.2510	2.295	2	115.6492	1.872	8	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|H<1>}	115.7820	1.218	6	115.6492	1.872	8	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]2){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.1675	1.460	4	118.1675	2.132	4	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6a]2){1|C<3>,2|H<1>}	114.1970	4.168	2	114.1970	17.370	2	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6a]2){1|C<3>,2|H<1>}	117.0848	0.410	6	117.0848	0.168	6	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2)	C[6a](C[6a]C[6a]H)2(NC[6a]2)	N(C[6a]C[6a]2)3	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]2){1|C<3>,2|H<1>}	118.0975	2.190	14	118.0975	4.795	14	117.0630	4.267	101	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6a]N){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	119.0150	0.000	1	119.0150	0.000	1	119.0150	0.000	1	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NHP)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	N(C[6a]C[6a]2)2(NHP)	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	116.9330	0.000	1	116.9330	0.000	1	116.9330	0.000	1	117.1748	3.984	120	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CCHH)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	117.7990	0.000	1	117.7990	0.000	1	117.6578	2.672	23	117.6578	2.672	23	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	121.5200	0.000	1	121.5200	0.000	1	117.6578	2.672	23	117.6578	2.672	23	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.4185	0.702	2	116.4185	0.493	2	117.6578	2.672	23	117.6578	2.672	23	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.8426	1.303	17	117.8426	1.697	17	117.6578	2.672	23	117.6578	2.672	23	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])2(CH3)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]S)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	115.3245	1.292	2	115.3245	1.669	2	117.6578	2.672	23	117.6578	2.672	23	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	120.3847	3.162	3	120.3902	6.667	4	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	120.4070	0.000	1	120.3902	6.667	4	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|H<1>}	120.6100	0.000	1	120.6100	0.000	1	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	115.4615	1.504	2	119.2054	5.457	9	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.4873	0.348	4	119.2054	5.457	9	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|C<4>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.2030	0.000	1	119.2054	5.457	9	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	121.7340	0.000	1	119.2054	5.457	9	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.0400	0.000	1	119.2054	5.457	9	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	119.2210	0.000	1	120.8505	5.311	2	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:2:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:N[6a]-2:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(NC[6a]C){1|O<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	122.4800	0.000	1	120.8505	5.311	2	119.7951	5.093	16	119.7951	5.093	16	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|Si<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	115.0670	0.000	1	115.0670	0.000	1	115.3046	0.774	11	115.3046	0.774	11	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	115.4237	0.926	9	115.3284	0.853	10	115.3046	0.774	11	115.3046	0.774	11	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:C[3]-4:	C[6a]-3:N-3:N[6a]-2:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a])	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(C[3]C[3]2H)	C[6a](C[6a]C[6a]N)(NC[6a]C[3])(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]C)(NC[6a]C[3])(N[6a]C[6a]){1|C<3>,2|H<1>}	114.4710	0.000	1	115.3284	0.853	10	115.3046	0.774	11	115.3046	0.774	11	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6a]C){1|N<2>,2|N<3>}	121.5070	0.000	1	121.5070	0.000	1	119.6277	3.722	3	119.6277	3.722	3	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.7240	0.000	1	119.7240	0.000	1	119.6277	3.722	3	119.6277	3.722	3	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:2:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(NC[6a]C){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.6520	0.000	1	117.6520	0.000	1	119.6277	3.722	3	119.6277	3.722	3	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	117.8021	0.920	15	117.6041	1.417	16	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	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[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	114.6340	0.000	1	117.6041	1.417	16	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CCHH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.0505	0.037	2	120.0505	0.001	2	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CC[5a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	113.4980	0.000	1	113.4980	0.000	1	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|C<4>,1|N<3>}	118.4840	0.000	1	118.4840	0.000	1	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	120.4650	0.000	1	120.4650	0.000	1	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[6a]C){1|C<3>,2|H<1>}	118.6533	0.869	3	118.6533	0.755	3	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6a]C){1|C<3>,2|C<4>}	114.4980	0.000	1	114.4980	0.000	1	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.5980	0.000	1	119.5980	0.000	1	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.6000	0.000	1	116.6000	0.000	1	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C)	N(C[6a]C[6a]2)2(CH3)	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Se)(C[6a]C[6a]H)(NC[6a]C){1|C<3>,2|H<1>}	116.1530	0.776	2	116.1530	0.603	2	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	C[6a](C[6a]C[6a]H)2(NC[6a]C)	N(C[6a]C[6a]2)2(CHHP)	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C){1|C<3>,2|H<1>}	118.7915	0.145	2	118.7915	0.021	2	117.7664	2.844	31	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:N-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(NH3)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	C[6a](C[6a]C[6a]H)2(NC[6a]N)	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>}	C[6a](C[6a]C[6a]H)2(NC[6a]N){1|C<3>,2|H<1>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PIrOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	N(C[6a]C[6a]2)2(PIrOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	111.7228	0.548	4	111.7228	0.301	4	111.4945	0.419	6	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P-4:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P)	N(C[6a]C[6a]2)2(PNiOO)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P){1|C<3>,2|H<1>}	111.0380	0.754	2	111.0380	0.568	2	111.4945	0.419	6	116.8156	7.874	38	118.7626	11.195	291	118.7626	11.195	291
956	643	643	0:SP3_SP2_SP2	N	C[6a]	C[6a]	4:3:3:	3:3:3:	3:3:3:	P[5]-4:C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5])	N(P[5]N[5,5]O[5]Rh)(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6a]P[5]){1|C<3>,2|H<1>}	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	118.7626	11.195	291	118.7626	11.195	291