930	951	957	0:SP2_SP-NON_SP1	C	H	Si	3:2:1:	3:	3:4:	C[5]-3:Si-2:H-1:	C-3:	C-3:Si-4:	C(C[5]N[5]2)(SiSi)(H)	H(CC[5]Si)	Si(CC[5]H)(SiSi3)	C(C[5]N[5]2)(SiSi)(H)	H(CC[5]Si)	Si(CC[5]H)(SiSi3)	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	112.6180	18.180	2	112.6180	18.180	2
930	951	957	0:SP2_SP-NON_SP1	C	H	Si	3:2:1:	3:	4:3:	C-3:Si-2:H-1:	C-3:	Si-4:C-3:	C(CC[6a]Si[4])(SiSi)(H)	H(CSiC)	Si(SiC3)(CCH)	C(CC[6a]Si[4])(SiSi)(H)	H(CSiC)	Si(SiC3)(CCH)	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	112.6180	18.180	2	112.6180	18.180	2
930	951	977	0:SP2_SP-NON_SP-NON	C	H	S	2:1:1:	3:	3:	S-2:H-1:S-1:	C-3:	C-3:	C(SNi)(H)(S)	H(CSS)	S(CHS)	C(SNi)(H)(S)	H(CSS)	S(CHS)	115.2317	1.185	3	115.2317	1.403	3	115.2317	1.403	3	115.2317	1.403	3	116.6214	2.483	15	116.6214	2.483	15
930	951	977	0:SP2_SP-NON_SP-NON	C	H	S	3:1:1:	3:	3:	C[5a]-3:H-1:S-1:	C-3:	C-3:	C(C[5a]C[5a]N[5a])(H)(S)	H(CC[5a]S)	S(CC[5a]H)	C(C[5a]C[5a]N[5a])(H)(S)	H(CC[5a]S)	S(CC[5a]H)	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	116.9688	2.246	12	116.6214	2.483	15	116.6214	2.483	15
930	951	977	0:SP2_SP-NON_SP-NON	C	H	S	3:1:1:	3:	3:	N-3:H-1:S-1:	C-3:	C-3:	C(NCC)(H)(S)	H(CNS)	S(CHN)	C(NCC)(H)(S)	H(CNS)	S(CHN)	120.6140	0.000	1	120.6140	0.000	1	117.3364	2.632	7	116.9688	2.246	12	116.6214	2.483	15	116.6214	2.483	15
930	951	977	0:SP2_SP-NON_SP-NON	C	H	S	3:1:1:	3:	3:	N-3:H-1:S-1:	C-3:	C-3:	C(NCH)(H)(S)	H(CNS)	S(CHN)	C(NCH)(H)(S)	H(CNS)	S(CHN)	116.6330	0.000	1	116.6330	0.000	1	117.3364	2.632	7	116.9688	2.246	12	116.6214	2.483	15	116.6214	2.483	15
930	951	977	0:SP2_SP-NON_SP-NON	C	H	S	3:1:1:	3:	3:	N-3:H-1:S-1:	C-3:	C-3:	C(NC[6a]H)(H)(S)	H(CNS)	S(CHN)	C(NC[6a]H)(H)(S)	H(CNS)	S(CHN)	116.8216	0.898	5	116.8216	0.807	5	117.3364	2.632	7	116.9688	2.246	12	116.6214	2.483	15	116.6214	2.483	15
930	951	977	0:SP2_SP-NON_SP-NON	C	H	S	3:1:1:	3:	3:	N[6]-3:H-1:S-1:	C-3:	C-3:	C(N[6]C[6,6a]C[6])(H)(S)	H(CN[6]S)	S(CN[6]H)	C(N[6]C[6,6a]C[6])(H)(S)	H(CN[6]S)	S(CN[6]H)	115.8810	0.158	4	115.8810	0.025	4	115.8810	0.025	4	116.9688	2.246	12	116.6214	2.483	15	116.6214	2.483	15
930	951	982	0:SP2_SP-NON_SPD5	C	H	Ge[3,4,4,5,5,4x6]	5:3:1:	3:	4:4:2:2:3:	Ge[3,4,4,5,5,4x6]-5:C-3:H-1:	C-3:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	H(CGe[3,4,4,5,5,4x6]C)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	H(CGe[3,4,4,5,5,4x6]C)	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	118.3050	0.491	2	118.3050	0.241	2	118.3050	0.241	2	118.3050	0.241	2	118.3050	0.241	2	118.3050	0.241	2
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	2:3:	C-2:H-1:O-1:	C-3:	C-2:C-3:	C(CC)(H)(O)	H(CCO)	C(CC[6a])(CHO)	C(CC)(H)(O)	H(CCO)	C(CC[6a])(CHO)	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	107.5910	0.000	1	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:1:	C-2:C-1:H-1:	C-3:	C-3:H-1:	C(CH)(C)(H)	H(CCC)	C(CCH)(H)	C(CH)(C)(H)	H(CCC)	C(CCH)(H)	134.9770	0.000	1	134.9770	0.000	1	134.9770	0.000	1	112.1882	82.200	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:1:	C-2:C-1:H-1:	C-3:	C-3:N-1:	C(CN)(C)(H)	H(CCC)	C(CCH)(N)	C(CN)(C)(H)	H(CCC)	C(CCH)(N)	134.0090	0.000	1	134.0090	0.000	1	134.0090	0.000	1	112.1882	82.200	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:1:	C-2:H-1:H-1:	C-3:	C-3:H-1:	C(CH)(H)2	H(CCH)	C(CHH)(H)	C(CH)(H)2	H(CCH)	C(CHH)(H)	120.0160	0.000	1	120.0160	0.000	1	120.0160	0.000	1	112.1882	82.200	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:1:	C-2:H-1:H-1:	C-3:	C-3:N-1:	C(CN)(H)2	H(CCH)	C(CHH)(N)	C(CN)(H)2	H(CCH)	C(CHH)(N)	110.2021	7.655	33	110.2021	58.601	33	110.2021	58.601	33	112.1882	82.200	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:1:	C-2:H-1:H-1:	C-3:	C-3:O-1:	C(CO)(H)2	H(CCH)	C(CHH)(O)	C(CO)(H)2	H(CCH)	C(CHH)(O)	115.7265	0.274	2	115.7265	0.075	2	115.7265	0.075	2	112.1882	82.200	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:1:	C-2:H-1:O-1:	C-3:	C-3:H-1:	C(CH)(H)(O)	H(CCO)	C(CHO)(H)	C(CH)(H)(O)	H(CCO)	C(CHO)(H)	118.2150	0.000	1	118.2150	0.000	1	118.2150	0.000	1	112.1882	82.200	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:2:	C-2:H-1:H-1:	C-3:	C-3:N-2:	C(CN)(H)2	H(CCH)	C(CHH)(NNi)	C(CN)(H)2	H(CCH)	C(CHH)(NNi)	105.1371	4.962	4	105.1371	24.626	4	106.5159	19.521	6	106.5159	19.521	6	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:2:	C-2:H-1:H-1:	C-3:	C-3:N-2:	C(CN)(H)2	H(CCH)	C(CHH)(NZn)	C(CN)(H)2	H(CCH)	C(CHH)(NZn)	109.2735	0.955	2	109.2735	0.913	2	106.5159	19.521	6	106.5159	19.521	6	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:Br-1:H-1:	C-3:	C-3:C-3:	C(CC)(Br)(H)	H(CBrC)	C(CBrH)(CCH)	C(CC)(Br)(H)	H(CBrC)	C(CBrH)(CCH)	119.8860	0.000	1	119.8860	0.000	1	119.8860	0.000	1	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:Br-1:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(Br)(H)	H(CBrC)	C(C[6]C[6,6a]C[5,6])(CBrH)	C(CC[6])(Br)(H)	H(CBrC)	C(C[6]C[6,6a]C[5,6])(CBrH)	119.3425	1.190	2	119.3425	1.416	2	119.4017	0.719	3	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:Br-1:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(Br)(H)	H(CBrC)	C(C[6]C[6]2)(CBrH)	C(CC[6])(Br)(H)	H(CBrC)	C(C[6]C[6]2)(CBrH)	119.5200	0.000	1	119.5200	0.000	1	119.4017	0.719	3	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:Cl-1:H-1:	C-3:	C-3:C-3:	C(CC)(Cl)(H)	H(CClC)	C(CC[6]H)(CClH)	C(CC)(Cl)(H)	H(CClC)	C(CC[6]H)(CClH)	121.2960	0.000	1	121.2960	0.000	1	121.2960	0.000	1	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CAuP)(CHH)	C(CC)(H)2	H(CCH)	C(CAuP)(CHH)	120.5615	4.905	2	120.5615	24.061	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CCC)(CHH)	C(CC)(H)2	H(CCH)	C(CCC)(CHH)	118.1490	6.620	6	118.1490	43.822	6	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CCH)(CHH)	C(CC)(H)2	H(CCH)	C(CCH)(CHH)	119.1471	4.185	12	119.1471	17.518	12	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[5,5,6]C)(CHH)	C(CC)(H)2	H(CCH)	C(CC[5,5,6]C)(CHH)	121.6790	0.047	2	121.6790	0.002	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[5,6]H)(CHH)	C(CC)(H)2	H(CCH)	C(CC[5,6]H)(CHH)	119.4922	3.607	6	119.4922	13.011	6	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[5]C)(CHH)	C(CC)(H)2	H(CCH)	C(CC[5]C)(CHH)	119.9110	2.615	2	119.9110	6.838	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[5]H)(CHH)	C(CC)(H)2	H(CCH)	C(CC[5]H)(CHH)	113.4507	12.128	8	113.4507	147.085	8	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[5]Si)(CHH)	C(CC)(H)2	H(CCH)	C(CC[5]Si)(CHH)	118.6975	3.565	2	118.6975	12.706	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[6a]C)(CHH)	C(CC)(H)2	H(CCH)	C(CC[6a]C)(CHH)	120.0823	0.700	6	120.0823	0.490	6	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[6a]H)(CHH)	C(CC)(H)2	H(CCH)	C(CC[6a]H)(CHH)	123.1033	5.405	6	123.1033	29.219	6	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[6a]N)(CHH)	C(CC)(H)2	H(CCH)	C(CC[6a]N)(CHH)	118.9540	4.857	4	118.9540	23.587	4	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[6a]P)(CHH)	C(CC)(H)2	H(CCH)	C(CC[6a]P)(CHH)	118.2780	1.741	2	118.2780	3.031	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CC[6a]Pd)(CHH)	C(CC)(H)2	H(CCH)	C(CC[6a]Pd)(CHH)	114.5230	3.253	2	114.5230	10.580	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CMoC)(CHH)	C(CC)(H)2	H(CCH)	C(CMoC)(CHH)	111.0735	2.457	2	111.0735	6.038	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CN[5]H)(CHH)	C(CC)(H)2	H(CCH)	C(CN[5]H)(CHH)	122.4085	1.945	2	122.4085	3.784	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CN[5a]H)(CHH)	C(CC)(H)2	H(CCH)	C(CN[5a]H)(CHH)	121.3785	0.697	6	121.3785	0.485	6	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CPdH)(CHH)	C(CC)(H)2	H(CCH)	C(CPdH)(CHH)	118.5920	1.710	2	118.5920	2.923	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C-3:C-3:	C(CC)(H)2	H(CCH)	C(CSiC)(CHH)	C(CC)(H)2	H(CCH)	C(CSiC)(CHH)	119.9920	0.027	2	119.9920	0.001	2	118.8899	32.946	74	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C[3]-3:C-3:	C(CC[3])(H)2	H(CCH)	C(C[3]C[3,6]2)(CHH)	C(CC[3])(H)2	H(CCH)	C(C[3]C[3,6]2)(CHH)	119.6055	2.971	2	119.6055	8.824	2	119.6055	8.824	2	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C[5]-3:C-3:	C(CC[5])(H)2	H(CCH)	C(C[5]C[5,5]C[5])(CHH)	C(CC[5])(H)2	H(CCH)	C(C[5]C[5,5]C[5])(CHH)	116.6735	1.293	2	116.6735	1.673	2	118.3847	5.944	4	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C[5]-3:C-3:	C(CC[5])(H)2	H(CCH)	C(C[5]C[5,6]C[5])(CHH)	C(CC[5])(H)2	H(CCH)	C(C[5]C[5,6]C[5])(CHH)	120.0960	2.109	2	120.0960	4.446	2	118.3847	5.944	4	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(H)2	H(CCH)	C(C[6]C[5a,6]C[6])(CHH)	C(CC[6])(H)2	H(CCH)	C(C[6]C[5a,6]C[6])(CHH)	119.5985	2.384	2	119.5985	5.682	2	118.9552	8.755	6	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(H)2	H(CCH)	C(C[6]C[6]2)(CHH)	C(CC[6])(H)2	H(CCH)	C(C[6]C[6]2)(CHH)	118.6335	3.505	4	118.6335	12.283	4	118.9552	8.755	6	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	3:3:	C-2:H-1:I-1:	C-3:	C[6]-3:C-3:	C(CC[6])(H)(I)	H(CCI)	C(C[6]C[6]2)(CHI)	C(CC[6])(H)(I)	H(CCI)	C(C[6]C[6]2)(CHI)	120.0660	0.081	2	120.0660	0.006	2	120.0660	0.006	2	118.9661	27.052	93	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	4:3:	C-2:H-1:H-1:	C-3:	C-4:C-3:	C(CC)(H)2	H(CCH)	C(CCHH)(CHH)	C(CC)(H)2	H(CCH)	C(CCHH)(CHH)	119.6340	9.414	4	119.6340	88.623	4	119.7597	53.213	6	119.3530	31.565	12	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	4:3:	C-2:H-1:H-1:	C-3:	C-4:C-3:	C(CC)(H)2	H(CCH)	C(CH3)(CHH)	C(CC)(H)2	H(CCH)	C(CH3)(CHH)	120.0110	0.079	2	120.0110	0.006	2	119.7597	53.213	6	119.3530	31.565	12	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	4:3:	C-2:H-1:H-1:	C-3:	C[6,6]-4:C-3:	C(CC[6,6])(H)2	H(CCH)	C(C[6,6]C[3x6]C[6,6]H)(CHH)	C(CC[6,6])(H)2	H(CCH)	C(C[6,6]C[3x6]C[6,6]H)(CHH)	119.9765	0.021	2	119.9765	0.000	2	119.9765	0.000	2	119.3530	31.565	12	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	4:3:	C-2:H-1:H-1:	C-3:	N-4:C-3:	C(CN)(H)2	H(CCH)	C(NC3)(CHH)	C(CN)(H)2	H(CCH)	C(NC3)(CHH)	114.4170	0.011	2	114.4170	0.000	2	114.4170	0.000	2	119.3530	31.565	12	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:1:1:	3:	4:3:	C-2:H-1:H-1:	C-3:	P-4:C-3:	C(CP)(H)2	H(CCH)	C(PBCC)(CHH)	C(CP)(H)2	H(CCH)	C(PBCC)(CHH)	122.4455	3.395	2	122.4455	11.525	2	122.4455	11.525	2	119.3530	31.565	12	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:1:	C-2:C-2:H-1:	C-3:	C-3:H-1:	C(CH)(CN)(H)	H(CCC)	C(CCH)(H)	C(CH)(CN)(H)	H(CCC)	C(CCH)(H)	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	119.8858	2.148	4	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:1:	C-2:C-2:H-1:	C-3:	C-3:N-1:	C(CC)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC)(CN)(H)	H(CCC)	C(CCH)(N)	119.3630	0.000	1	119.3630	0.000	1	120.1660	2.750	3	119.8858	2.148	4	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:1:	C-2:C-2:H-1:	C-3:	C-3:N-1:	C(CH)(CN)(H)	H(CCC)	C(CCH)(N)	C(CH)(CN)(H)	H(CCC)	C(CCH)(N)	119.0620	0.000	1	119.0620	0.000	1	120.1660	2.750	3	119.8858	2.148	4	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:1:	C-2:C-2:H-1:	C-3:	C-3:N-1:	C(CN)2(H)	H(CCC)	C(CCH)(N)	C(CN)2(H)	H(CCC)	C(CCH)(N)	122.0730	0.000	1	122.0730	0.000	1	120.1660	2.750	3	119.8858	2.148	4	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:2:	C-2:C-2:H-1:	C-3:	C-3:C-2:	C(CC)2(H)	H(CCC)	C(CCH)(CC)	C(CC)2(H)	H(CCC)	C(CCH)(CC)	118.5512	0.996	6	118.5512	0.993	6	118.5512	0.993	6	118.2170	3.378	8	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:2:	C-2:C-2:H-1:	C-3:	C-3:N-2:	C(CN)2(H)	H(CCC)	C(CCH)(NB)	C(CN)2(H)	H(CCC)	C(CCH)(NB)	120.0430	0.000	1	120.0430	0.000	1	117.2145	16.001	2	118.2170	3.378	8	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:2:	C-2:C-2:H-1:	C-3:	C-3:N-2:	C(CN)2(H)	H(CCC)	C(CCH)(NOs)	C(CN)2(H)	H(CCC)	C(CCH)(NOs)	114.3860	0.000	1	114.3860	0.000	1	117.2145	16.001	2	118.2170	3.378	8	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:3:	C-2:C-2:H-1:	C-3:	C-3:C-3:	C(CC)(CN)(H)	H(CCC)	C(CCC)(CCH)	C(CC)(CN)(H)	H(CCC)	C(CCC)(CCH)	119.3810	0.000	1	119.3810	0.000	1	115.0505	37.506	2	115.5957	19.645	3	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:3:	C-2:C-2:H-1:	C-3:	C-3:C-3:	C(CC)2(H)	H(CCC)	C(CCH)(CCN)	C(CC)2(H)	H(CCC)	C(CCH)(CCN)	110.7200	0.000	1	110.7200	0.000	1	115.0505	37.506	2	115.5957	19.645	3	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:2:1:	3:	3:3:	O-2:C-2:H-1:	C-3:	C-3:C-3:	C(OC[5])(CC)(H)	H(CCO)	C(CCC)(CHO)	C(OC[5])(CC)(H)	H(CCO)	C(CCC)(CHO)	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	115.5957	19.645	3	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:3:1:	3:	3:3:	C-2:C-3:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(CCC)(H)	H(CCC)	C(C[6]C[6]2)(CCH)	C(CC[6])(CCC)(H)	H(CCC)	C(C[6]C[6]2)(CCH)	117.9095	0.006	4	117.9095	0.000	4	118.1195	0.463	6	118.1195	0.463	6	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	2:3:1:	3:	3:3:	C-2:C-3:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(COO)(H)	H(CCC)	C(C[6]C[6,6]C[6])(CCH)	C(CC[6])(COO)(H)	H(CCC)	C(C[6]C[6,6]C[6])(CCH)	118.5395	1.337	2	118.5395	1.788	2	118.1195	0.463	6	118.1195	0.463	6	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CBr2)(CC)(H)	H(CCC)	C(CC[3x6])(CCH)	C(CBr2)(CC)(H)	H(CCC)	C(CC[3x6])(CCH)	117.8940	0.643	2	117.8940	0.414	2	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CBrH)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CBrH)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	113.6770	0.000	1	113.6770	0.000	1	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CCC)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CCC)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	117.0563	0.918	3	117.0563	0.843	3	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CCH)(CC)(H)	H(CCC)	C(CC[5])(CCH)	C(CCH)(CC)(H)	H(CCC)	C(CC[5])(CCH)	112.6170	0.000	1	112.6170	0.000	1	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CCH)(CC)(H)	H(CCC)	C(CC[6])(CCH)	C(CCH)(CC)(H)	H(CCC)	C(CC[6])(CCH)	119.3292	2.100	5	119.3292	4.412	5	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CCH)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CCH)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	117.2779	0.921	12	117.2779	0.848	12	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[5]H)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[5]H)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	119.2720	0.000	1	119.2720	0.000	1	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[5a]H)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[5a]H)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	115.9150	0.000	1	115.9150	0.000	1	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[6]C)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[6]C)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	117.3230	0.000	2	117.3230	0.000	2	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[6a]2)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[6a]2)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	116.8798	0.689	4	116.8798	0.475	4	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[6a]C)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[6a]C)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	117.9515	1.377	2	117.9515	1.895	2	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[6a]Fe)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[6a]Fe)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	115.6820	0.000	1	115.6820	0.000	1	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[6a]N)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[6a]N)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	116.0402	1.537	5	116.0402	2.363	5	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CC[6a]O)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	117.4737	2.392	4	117.4737	5.722	4	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CFF)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CFF)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	122.8760	0.000	1	122.8760	0.000	1	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	2:3:	C-3:C-2:H-1:	C-3:	C-2:C-3:	C(CSiC)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	C(CSiC)(CC)(H)	H(CCC)	C(CC[6a])(CCH)	113.7500	0.000	1	113.7500	0.000	1	117.2368	3.935	46	117.2368	3.935	46	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:H-1:	C(CCC)(CH)(H)	H(CCC)	C(CCH)(H)	C(CCC)(CH)(H)	H(CCC)	C(CCH)(H)	126.2720	4.088	2	126.2720	16.716	2	117.2750	69.168	26	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:H-1:	C(CCH)(CH)(H)	H(CCC)	C(CCH)(H)	C(CCH)(CH)(H)	H(CCC)	C(CCH)(H)	115.4191	7.998	21	115.4191	63.966	21	117.2750	69.168	26	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:H-1:	C(CCO)(CH)(H)	H(CCC)	C(CCH)(H)	C(CCO)(CH)(H)	H(CCC)	C(CCH)(H)	126.4980	0.000	1	126.4980	0.000	1	117.2750	69.168	26	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:H-1:	C(CC[5a]H)(CH)(H)	H(CCC)	C(CCH)(H)	C(CC[5a]H)(CH)(H)	H(CCC)	C(CCH)(H)	118.4220	0.000	1	118.4220	0.000	1	117.2750	69.168	26	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:H-1:	C(CHN)(CH)(H)	H(CCC)	C(CCH)(H)	C(CHN)(CH)(H)	H(CCC)	C(CCH)(H)	127.8850	0.000	1	127.8850	0.000	1	117.2750	69.168	26	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CCC)(CN)(H)	H(CCC)	C(CCH)(N)	C(CCC)(CN)(H)	H(CCC)	C(CCH)(N)	119.0430	0.104	3	119.0430	0.011	3	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CCH)(CN)(H)	H(CCC)	C(CCH)(N)	C(CCH)(CN)(H)	H(CCC)	C(CCH)(N)	117.6207	2.178	9	117.6207	4.744	9	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CCN)(CN)(H)	H(CCC)	C(CCH)(N)	C(CCN)(CN)(H)	H(CCC)	C(CCH)(N)	117.9380	2.152	2	117.9380	4.633	2	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CCS)(CN)(H)	H(CCC)	C(CCH)(N)	C(CCS)(CN)(H)	H(CCC)	C(CCH)(N)	118.6270	0.000	1	118.6270	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[3]C)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[3]C)(CN)(H)	H(CCC)	C(CCH)(N)	116.8510	0.000	1	116.8510	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[3]H)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[3]H)(CN)(H)	H(CCC)	C(CCH)(N)	118.6790	0.000	1	118.6790	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[5]C)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[5]C)(CN)(H)	H(CCC)	C(CCH)(N)	117.7460	0.000	1	117.7460	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[5]H)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[5]H)(CN)(H)	H(CCC)	C(CCH)(N)	111.2010	0.000	1	111.2010	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[5]I)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[5]I)(CN)(H)	H(CCC)	C(CCH)(N)	117.7690	0.578	2	117.7690	0.335	2	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[5a]H)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[5a]H)(CN)(H)	H(CCC)	C(CCH)(N)	118.9837	1.044	7	118.9837	1.091	7	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[6]N[6])(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[6]N[6])(CN)(H)	H(CCC)	C(CCH)(N)	114.1290	0.953	2	114.1290	0.909	2	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[6a]2)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[6a]2)(CN)(H)	H(CCC)	C(CCH)(N)	117.8660	0.000	1	117.8660	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[6a]C)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[6a]C)(CN)(H)	H(CCC)	C(CCH)(N)	117.2767	2.148	3	117.2767	4.615	3	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[6a]Cl)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[6a]Cl)(CN)(H)	H(CCC)	C(CCH)(N)	117.4760	0.000	1	117.4760	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[6a]H)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[6a]H)(CN)(H)	H(CCC)	C(CCH)(N)	118.8755	0.755	4	118.8755	0.571	4	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CC[6a]O)(CN)(H)	H(CCC)	C(CCH)(N)	C(CC[6a]O)(CN)(H)	H(CCC)	C(CCH)(N)	118.4832	0.686	5	118.4832	0.471	5	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CHH)(CN)(H)	H(CCC)	C(CCH)(N)	C(CHH)(CN)(H)	H(CCC)	C(CCH)(N)	119.0685	0.091	2	119.0685	0.008	2	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C-3:C-2:H-1:	C-3:	C-3:N-1:	C(CN[6]C)(CN)(H)	H(CCC)	C(CCH)(N)	C(CN[6]C)(CN)(H)	H(CCC)	C(CCH)(N)	119.1410	0.000	1	119.1410	0.000	1	117.9520	3.537	47	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[5]-3:C-2:H-1:	C-3:	C-3:N-1:	C(C[5]C[5,6]C[5])(CN)(H)	H(CC[5]C)	C(CC[5]H)(N)	C(C[5]C[5,6]C[5])(CN)(H)	H(CC[5]C)	C(CC[5]H)(N)	117.2320	0.000	1	117.2320	0.000	1	118.9445	5.865	2	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[5]-3:C-2:H-1:	C-3:	C-3:N-1:	C(C[5]C[5]S[5])(CN)(H)	H(CC[5]C)	C(CC[5]H)(N)	C(C[5]C[5]S[5])(CN)(H)	H(CC[5]C)	C(CC[5]H)(N)	120.6570	0.000	1	120.6570	0.000	1	118.9445	5.865	2	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6,6]-3:C-2:H-1:	C-3:	C-3:N-1:	C(C[6,6]C[6,6]2)(CN)(H)	H(CC[6,6]C)	C(CC[6,6]H)(N)	C(C[6,6]C[6,6]2)(CN)(H)	H(CC[6,6]C)	C(CC[6,6]H)(N)	118.6290	0.000	1	118.6290	0.000	1	118.6290	0.000	1	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6]-3:C-2:H-1:	C-3:	C-3:H-1:	C(C[6]C[6]2)(CH)(H)	H(CC[6]C)	C(CC[6]H)(H)	C(C[6]C[6]2)(CH)(H)	H(CC[6]C)	C(CC[6]H)(H)	126.5980	0.000	1	126.5980	0.000	1	126.5980	0.000	1	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6]-3:C-2:H-1:	C-3:	C-3:N-1:	C(C[6]C[6,6]O[6])(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	C(C[6]C[6,6]O[6])(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	119.2226	2.184	5	119.2226	4.770	5	118.1171	4.021	13	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6]-3:C-2:H-1:	C-3:	C-3:N-1:	C(C[6]C[6]2)(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	C(C[6]C[6]2)(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	117.9475	2.008	4	117.9475	4.034	4	118.1171	4.021	13	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6]-3:C-2:H-1:	C-3:	C-3:N-1:	C(C[6]C[6]O[6])(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	C(C[6]C[6]O[6])(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	118.8270	0.000	1	118.8270	0.000	1	118.1171	4.021	13	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6]-3:C-2:H-1:	C-3:	C-3:N-1:	C(C[6]N[5,6]C[6])(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	C(C[6]N[5,6]C[6])(CN)(H)	H(CC[6]C)	C(CC[6]H)(N)	116.2640	0.138	3	116.2640	0.019	3	118.1171	4.021	13	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6a]-3:C-2:H-1:	C-3:	C-3:H-1:	C(C[6a]C[6a]2)(CH)(H)	H(CC[6a]C)	C(CC[6a]H)(H)	C(C[6a]C[6a]2)(CH)(H)	H(CC[6a]C)	C(CC[6a]H)(H)	119.2850	0.000	1	119.2850	0.000	1	120.9390	5.471	2	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:1:	C[6a]-3:C-2:H-1:	C-3:	C-3:H-1:	C(C[6a]C[6a]N[6a])(CH)(H)	H(CC[6a]C)	C(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CH)(H)	H(CC[6a]C)	C(CC[6a]H)(H)	122.5930	0.000	1	122.5930	0.000	1	120.9390	5.471	2	117.9719	22.623	92	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CCC)(CC)(H)	H(CCC)	C(CCH)(CC)	C(CCC)(CC)(H)	H(CCC)	C(CCH)(CC)	117.1500	0.665	11	117.1500	0.443	11	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CCC)(CC)(H)	H(CCC)	C(CCH)(CNi)	C(CCC)(CC)(H)	H(CCC)	C(CCH)(CNi)	116.7200	0.000	1	116.7200	0.000	1	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CC)	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CC)	119.0731	1.435	49	119.0731	2.058	49	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CH)	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CH)	120.4020	2.468	3	120.4020	6.092	3	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CP)	C(CCH)(CC)(H)	H(CCC)	C(CCH)(CP)	118.5060	0.000	1	118.5060	0.000	1	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CCN)(CC)(H)	H(CCC)	C(CCH)(CC)	C(CCN)(CC)(H)	H(CCC)	C(CCH)(CC)	115.3685	4.789	2	115.3685	22.937	2	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CCS)(CC)(H)	H(CCC)	C(CCH)(CSi)	C(CCS)(CC)(H)	H(CCC)	C(CCH)(CSi)	118.0632	0.541	10	118.0632	0.293	10	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[5,6]H)(CC)(H)	H(CCC)	C(CCH)(CSi)	C(CC[5,6]H)(CC)(H)	H(CCC)	C(CCH)(CSi)	117.6910	0.000	1	117.6910	0.000	1	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[5]S)(CC)(H)	H(CCC)	C(CCH)(CSi)	C(CC[5]S)(CC)(H)	H(CCC)	C(CCH)(CSi)	116.9128	0.148	4	116.9128	0.022	4	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[5a]S)(CC)(H)	H(CCC)	C(CCH)(CSi)	C(CC[5a]S)(CC)(H)	H(CCC)	C(CCH)(CSi)	117.5580	0.376	6	117.5580	0.141	6	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[6a]2)(CC)(H)	H(CCC)	C(CCH)(CC)	C(CC[6a]2)(CC)(H)	H(CCC)	C(CCH)(CC)	117.2657	0.753	3	117.2657	0.566	3	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[6a]C)(CC)(H)	H(CCC)	C(CCH)(CH)	C(CC[6a]C)(CC)(H)	H(CCC)	C(CCH)(CH)	117.7120	0.000	1	117.7120	0.000	1	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[6a]H)(CC)(H)	H(CCC)	C(CCH)(CC)	C(CC[6a]H)(CC)(H)	H(CCC)	C(CCH)(CC)	117.9230	0.000	1	117.9230	0.000	1	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[6a]N)(CC)(H)	H(CCC)	C(CCH)(CSi)	C(CC[6a]N)(CC)(H)	H(CCC)	C(CCH)(CSi)	117.9135	0.334	2	117.9135	0.112	2	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CC[6a]S)(CC)(H)	H(CCC)	C(CCH)(CSi)	C(CC[6a]S)(CC)(H)	H(CCC)	C(CCH)(CSi)	116.0182	0.981	6	116.0182	0.962	6	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CHH)(CC)(H)	H(CCC)	C(CCH)(CH)	C(CHH)(CC)(H)	H(CCC)	C(CCH)(CH)	90.0963	0.000	1	90.0963	0.000	1	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(COO)(CC)(H)	H(CCC)	C(CCH)(CC)	C(COO)(CC)(H)	H(CCC)	C(CCH)(CC)	117.4260	0.000	1	117.4260	0.000	1	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:C-2:	C(CSiC)(CC)(H)	H(CCC)	C(CCH)(CSi)	C(CSiC)(CC)(H)	H(CCC)	C(CCH)(CSi)	115.5710	1.287	3	115.5710	1.657	3	117.8805	10.238	106	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:N-2:	C(CC[6a]H)(CN)(H)	H(CCC)	C(CCH)(NNi)	C(CC[6a]H)(CN)(H)	H(CCC)	C(CCH)(NNi)	120.1640	0.000	1	120.1640	0.000	1	119.5562	0.857	5	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:N-2:	C(CC[6a]O)(CN)(H)	H(CCC)	C(CCH)(NMo)	C(CC[6a]O)(CN)(H)	H(CCC)	C(CCH)(NMo)	119.7530	0.000	1	119.7530	0.000	1	119.5562	0.857	5	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:N-2:	C(CHH)(CN)(H)	H(CCC)	C(CCH)(NB)	C(CHH)(CN)(H)	H(CCC)	C(CCH)(NB)	120.5640	0.000	1	120.5640	0.000	1	119.5562	0.857	5	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:N-2:	C(CHH)(CN)(H)	H(CCC)	C(CCH)(NNi)	C(CHH)(CN)(H)	H(CCC)	C(CCH)(NNi)	119.0750	0.000	1	119.0750	0.000	1	119.5562	0.857	5	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C-3:C-2:H-1:	C-3:	C-3:N-2:	C(COO)(CN)(H)	H(CCC)	C(CCH)(NPd)	C(COO)(CN)(H)	H(CCC)	C(CCH)(NPd)	118.2250	0.000	1	118.2250	0.000	1	119.5562	0.857	5	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[5]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[5]C[5,6]C[5])(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[5a])	C(C[5]C[5,6]C[5])(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[5a])	117.3030	0.000	1	117.3030	0.000	1	118.1661	3.350	9	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[5]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[5]C[5,6]C[5])(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[6a])	C(C[5]C[5,6]C[5])(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[6a])	117.5130	0.000	1	117.5130	0.000	1	118.1661	3.350	9	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[5]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[5]C[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[6a])	C(C[5]C[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[6a])	118.2840	0.280	2	118.2840	0.078	2	118.1661	3.350	9	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[5]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[5]C[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CSi)	C(C[5]C[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CSi)	116.6550	0.000	1	116.6550	0.000	1	118.1661	3.350	9	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[5]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[5]C[5]O[5])(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC)	C(C[5]C[5]O[5])(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC)	119.1950	1.547	2	119.1950	2.394	2	118.1661	3.350	9	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[5]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[5]S[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[6a])	C(C[5]S[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CC[6a])	118.5330	4.296	2	118.5330	18.459	2	118.1661	3.350	9	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[6]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[6]C[6]2)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CC)	C(C[6]C[6]2)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CC)	117.1060	0.000	1	117.1060	0.000	1	117.2693	1.458	3	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[6]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[6]C[6]2)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CC[6a])	C(C[6]C[6]2)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CC[6a])	117.3510	1.696	2	117.3510	2.875	2	117.2693	1.458	3	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:2:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-2:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CRu)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CRu)	116.3190	0.000	1	116.3190	0.000	1	116.3190	0.000	1	117.9414	9.155	124	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C-3:C-2:H-1:	C-3:	C-3:C-3:	C(CCH)(CC)(H)	H(CCC)	C(CCC)(CCH)	C(CCH)(CC)(H)	H(CCC)	C(CCC)(CCH)	119.8000	0.000	1	119.8000	0.000	1	120.9422	5.422	5	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C-3:C-2:H-1:	C-3:	C-3:C-3:	C(CHH)(CC)(H)	H(CCC)	C(CCH)(CHH)	C(CHH)(CC)(H)	H(CCC)	C(CCH)(CHH)	124.4320	0.000	1	124.4320	0.000	1	120.9422	5.422	5	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C-3:C-2:H-1:	C-3:	C-3:C-3:	C(CNO)(CC)(H)	H(CCC)	C(CC[6a]H)(CCH)	C(CNO)(CC)(H)	H(CCC)	C(CC[6a]H)(CCH)	118.7750	0.000	1	118.7750	0.000	1	120.9422	5.422	5	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C-3:C-2:H-1:	C-3:	C-3:C-3:	C(COO)(CC)(H)	H(CCC)	C(CCH)(CHH)	C(COO)(CC)(H)	H(CCC)	C(CCH)(CHH)	119.5310	0.000	1	119.5310	0.000	1	120.9422	5.422	5	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C-3:C-2:H-1:	C-3:	C-3:C-3:	C(COO)(CC)(H)	H(CCC)	C(CC[5]C)(CCH)	C(COO)(CC)(H)	H(CCC)	C(CC[5]C)(CCH)	122.1730	0.000	1	122.1730	0.000	1	120.9422	5.422	5	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[5]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[5]C[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	C(C[5]C[5]2)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6]C[6]2)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CCC)	C(C[6]C[6]2)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CCC)	111.5390	0.000	1	111.5390	0.000	1	111.5390	0.000	1	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a,6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CHH)	C(C[6a]C[6a,6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CHH)	116.0120	0.000	1	116.0120	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[5a]C[6a])(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[5a]C[6a])(CC[6a]H)	116.8870	0.000	1	116.8870	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]2)(CC[6a]H)	117.1860	0.000	1	117.1860	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]C)(CC[6a]H)	117.1780	0.535	2	117.1780	0.286	2	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CCC)	120.1430	0.000	1	120.1430	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CCH)	116.9270	0.000	1	116.9270	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CC[6a]N)	117.0900	0.213	4	117.0900	0.045	4	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CC[6a]P)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CC[6a]P)	116.9410	0.000	1	116.9410	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CHH)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CHH)	121.3045	1.722	2	121.3045	2.965	2	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(COO)	114.6280	0.000	1	114.6280	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CSiC)	C(C[6a]C[6a]2)(CC)(H)	H(CC[6a]C)	C(CC[6a]H)(CSiC)	122.2520	0.000	1	122.2520	0.000	1	117.8938	4.792	16	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:H-1:	C-3:	C[6]-3:C-3:	C(C[6a]C[6a]2)(CC[6])(H)	H(CC[6a]C)	C(C[6]C[6]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6])(H)	H(CC[6a]C)	C(C[6]C[6]2)(CC[6a]H)	113.8550	0.000	1	113.8550	0.000	1	113.8550	0.000	1	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	N[5]-3:C-2:H-1:	C-3:	C-3:C-3:	C(N[5]C[5]2)(CC)(H)	H(CN[5]C)	C(CN[5]H)(CCH)	C(N[5]C[5]2)(CC)(H)	H(CN[5]C)	C(CN[5]H)(CCH)	117.9160	0.000	1	117.9160	0.000	1	117.3090	0.737	2	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	N[5]-3:C-2:H-1:	C-3:	C-3:C-3:	C(N[5]C[5]2)(CC)(H)	H(CN[5]C)	C(CN[5]H)(CHH)	C(N[5]C[5]2)(CC)(H)	H(CN[5]C)	C(CN[5]H)(CHH)	116.7020	0.000	1	116.7020	0.000	1	117.3090	0.737	2	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	N[5a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CC)(H)	H(CN[5a]C)	C(CN[5a]H)(CHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)	H(CN[5a]C)	C(CN[5a]H)(CHH)	119.2560	2.150	2	119.2560	4.621	2	119.9045	6.077	4	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	N[5a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(N[5a]C[5a,6a]N[5a])(CC)(H)	H(CN[5a]C)	C(CC[6a]2)(CN[5a]H)	C(N[5a]C[5a,6a]N[5a])(CC)(H)	H(CN[5a]C)	C(CC[6a]2)(CN[5a]H)	118.1110	0.000	1	118.1110	0.000	1	119.9045	6.077	4	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	N[5a]-3:C-2:H-1:	C-3:	C-3:C-3:	C(N[5a]N[5a]2)(CC)(H)	H(CN[5a]C)	C(CN[5a]H)(CHH)	C(N[5a]N[5a]2)(CC)(H)	H(CN[5a]C)	C(CN[5a]H)(CHH)	122.9950	0.000	1	122.9950	0.000	1	119.9045	6.077	4	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	3:3:	S-3:C-2:H-1:	C-3:	C[5,6]-3:C-3:	C(SC[6a]O)(CC[5,6])(H)	H(CCS)	C(C[5,6]C[5,5,6]C[5,6])(CHS)	C(SC[6a]O)(CC[5,6])(H)	H(CCS)	C(C[5,6]C[5,5,6]C[5,6])(CHS)	127.1210	0.000	1	127.1210	0.000	1	127.1210	0.000	1	118.5834	10.104	31	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	4:3:	C-3:C-2:H-1:	C-3:	C-4:C-3:	C(CCH)(CC)(H)	H(CCC)	C(CCHH)(CCH)	C(CCH)(CC)(H)	H(CCC)	C(CCHH)(CCH)	105.4980	0.000	1	105.4980	0.000	1	112.7525	105.256	2	112.7525	105.256	2	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	3:2:1:	3:	4:3:	C-3:C-2:H-1:	C-3:	C-4:C-3:	C(CCH)(CC)(H)	H(CCC)	C(CH3)(CCH)	C(CCH)(CC)(H)	H(CCC)	C(CH3)(CCH)	120.0070	0.000	1	120.0070	0.000	1	112.7525	105.256	2	112.7525	105.256	2	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:1:	C-4:C-2:H-1:	C-3:	C-3:H-1:	C(CC[5,6]HH)(CH)(H)	H(CCC)	C(CCH)(H)	C(CC[5,6]HH)(CH)(H)	H(CCC)	C(CCH)(H)	117.9660	0.000	1	117.9660	0.000	1	117.9660	0.000	1	126.9883	181.865	3	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:1:	C[5]-4:C-2:H-1:	C-3:	C-3:H-1:	C(C[5]C[5,6]C[5]H)(CH)(H)	H(CC[5]C)	C(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CH)(H)	H(CC[5]C)	C(CC[5]H)(H)	120.5080	0.000	1	120.5080	0.000	1	120.5080	0.000	1	126.9883	181.865	3	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:1:	C[6,6]-4:C-2:H-1:	C-3:	C-3:H-1:	C(C[6,6]C[3x6]C[6,6]H)(CH)(H)	H(CC[6,6]C)	C(CC[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH)(H)	H(CC[6,6]C)	C(CC[6,6]H)(H)	142.4910	0.000	1	142.4910	0.000	1	142.4910	0.000	1	126.9883	181.865	3	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:2:	S-4:C-2:H-1:	C-3:	C-3:N-2:	C(SCOO)(CN)(H)	H(CCS)	C(CHS)(NLi)	C(SCOO)(CN)(H)	H(CCS)	C(CHS)(NLi)	121.7080	0.000	1	121.7080	0.000	1	121.7080	0.000	1	119.7275	7.845	2	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:2:	Si-4:C-2:H-1:	C-3:	C-3:C-2:	C(SiC3)(CC)(H)	H(CSiC)	C(CSiH)(CC)	C(SiC3)(CC)(H)	H(CSiC)	C(CSiH)(CC)	117.7470	0.000	1	117.7470	0.000	1	117.7470	0.000	1	119.7275	7.845	2	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	B-4:C-2:H-1:	C-3:	C-3:C-3:	C(BN[5]3)(CC)(H)	H(CBC)	C(CC[6a]2)(CBH)	C(BN[5]3)(CC)(H)	H(CBC)	C(CC[6a]2)(CBH)	114.1870	0.000	1	114.1870	0.000	1	114.1870	0.000	1	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CC3)(CC)(H)	H(CCC)	C(CC[6a]C)(CCH)	C(CC3)(CC)(H)	H(CCC)	C(CC[6a]C)(CCH)	116.9072	0.204	6	116.9072	0.041	6	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CC3)(CC)(H)	H(CCC)	C(CHfC)(CCH)	C(CC3)(CC)(H)	H(CCC)	C(CHfC)(CCH)	114.7930	0.000	1	114.7930	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CCCH)(CC)(H)	H(CCC)	C(CCH)(CHH)	C(CCCH)(CC)(H)	H(CCC)	C(CCH)(CHH)	117.9820	0.000	1	117.9820	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CCCH)(CC)(H)	H(CCC)	C(CCH)2	C(CCCH)(CC)(H)	H(CCC)	C(CCH)2	119.3410	0.000	1	119.3410	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CCHH)(CC)(H)	H(CCC)	C(CCH)2	C(CCHH)(CC)(H)	H(CCC)	C(CCH)2	119.1810	0.000	1	119.1810	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CCHH)(CC)(H)	H(CCC)	C(CC[6a]Si)(CCH)	C(CCHH)(CC)(H)	H(CCC)	C(CC[6a]Si)(CCH)	117.2400	0.139	2	117.2400	0.019	2	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CCHO)(CC)(H)	H(CCC)	C(CBrH)(CCH)	C(CCHO)(CC)(H)	H(CCC)	C(CBrH)(CCH)	118.9160	0.000	1	118.9160	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CC[6a]CH)(CC)(H)	H(CCC)	C(CCC)(CCH)	C(CC[6a]CH)(CC)(H)	H(CCC)	C(CCC)(CCH)	117.9410	0.000	1	117.9410	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CC[6a]C[6]H)(CC)(H)	H(CCC)	C(CCH)(CHH)	C(CC[6a]C[6]H)(CC)(H)	H(CCC)	C(CCH)(CHH)	118.8340	0.000	1	118.8340	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CC[6a]HN)(CC)(H)	H(CCC)	C(CCC)(CCH)	C(CC[6a]HN)(CC)(H)	H(CCC)	C(CCC)(CCH)	116.3275	0.148	2	116.3275	0.022	2	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CC[6a]HN)(CC)(H)	H(CCC)	C(CCH)(CHH)	C(CC[6a]HN)(CC)(H)	H(CCC)	C(CCH)(CHH)	118.2160	0.701	2	118.2160	0.492	2	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CC[6a]HO)(CC)(H)	H(CCC)	C(CC[6]H)(CCH)	C(CC[6a]HO)(CC)(H)	H(CCC)	C(CC[6]H)(CCH)	120.4710	0.000	1	120.4710	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CH3)(CC)(H)	H(CCC)	C(CCH)(COO)	C(CH3)(CC)(H)	H(CCC)	C(CCH)(COO)	118.4430	0.000	1	118.4430	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CH3)(CC)(H)	H(CCC)	C(CC[5a]Si)(CCH)	C(CH3)(CC)(H)	H(CCC)	C(CC[5a]Si)(CCH)	118.2340	0.000	1	118.2340	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CH3)(CC)(H)	H(CCC)	C(CN[5]H)(CCH)	C(CH3)(CC)(H)	H(CCC)	C(CN[5]H)(CCH)	117.2350	0.000	1	117.2350	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C-4:C-2:H-1:	C-3:	C-3:C-3:	C(CHHO)(CC)(H)	H(CCC)	C(CC[6]H)(CCH)	C(CHHO)(CC)(H)	H(CCC)	C(CC[6]H)(CCH)	118.5270	0.000	1	118.5270	0.000	1	117.7045	1.517	24	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[5,6]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[5,6]C[5,5,6]C[5,6]O)(CC)(H)	H(CC[5,6]C)	C(CC[5,6]H)(CHH)	C(C[5,6]C[5,5,6]C[5,6]O)(CC)(H)	H(CC[5,6]C)	C(CC[5,6]H)(CHH)	116.0090	0.000	1	116.0090	0.000	1	119.2300	8.760	3	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[5,6]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	H(CC[5,6]C)	C(CC[5,6]H)(CHH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	H(CC[5,6]C)	C(CC[5,6]H)(CHH)	119.8510	0.000	1	119.8510	0.000	1	119.2300	8.760	3	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[5,6]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[5,6]C[5a,6]N[5,6]C[5])(CC)(H)	H(CC[5,6]C)	C(CC[5,6]H)(CHH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CC)(H)	H(CC[5,6]C)	C(CC[5,6]H)(CHH)	121.8300	0.000	1	121.8300	0.000	1	119.2300	8.760	3	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[5]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[5]C[5,6a]C[5]O)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CCC)	C(C[5]C[5,6a]C[5]O)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CCC)	118.1230	0.000	1	118.1230	0.000	1	117.7322	1.025	4	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[5]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[5]C[5,6a]C[5]S)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	C(C[5]C[5,6a]C[5]S)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	116.2380	0.000	1	116.2380	0.000	1	117.7322	1.025	4	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[5]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[5]C[5]O[5]H)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	C(C[5]C[5]O[5]H)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	118.4840	0.000	1	118.4840	0.000	1	117.7322	1.025	4	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[5]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[5]N[5]2H)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	C(C[5]N[5]2H)(CC)(H)	H(CC[5]C)	C(CC[5]H)(CHH)	118.0840	0.000	1	118.0840	0.000	1	117.7322	1.025	4	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[6,6]-4:C-2:H-1:	C-3:	C[6]-3:C-3:	C(C[6,6]C[3x6]C[6,6]C)(CC[6])(H)	H(CC[6,6]C)	C(C[6]C[6]2)(CC[6,6]H)	C(C[6,6]C[3x6]C[6,6]C)(CC[6])(H)	H(CC[6,6]C)	C(C[6]C[6]2)(CC[6,6]H)	117.5080	0.000	1	117.5080	0.000	1	117.5080	0.000	1	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[6]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[6]C[5,6]O[6]H)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CClH)	C(C[6]C[5,6]O[6]H)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CClH)	117.1660	0.000	1	117.1660	0.000	1	117.8490	1.559	3	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	C[6]-4:C-2:H-1:	C-3:	C-3:C-3:	C(C[6]C[6]2H)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CCH)	C(C[6]C[6]2H)(CC)(H)	H(CC[6]C)	C(CC[6]H)(CCH)	118.1905	1.555	2	118.1905	2.418	2	117.8490	1.559	3	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	P-4:C-2:H-1:	C-3:	C-3:C-3:	C(PC[6a]C[6]O)(CC)(H)	H(CCP)	C(CC[6a]P)(CHP)	C(PC[6a]C[6]O)(CC)(H)	H(CCP)	C(CC[6a]P)(CHP)	120.8170	0.204	2	120.8170	0.041	2	120.8170	0.041	2	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	3:3:	P[6]-4:C-2:H-1:	C-3:	C-3:C-3:	C(P[6]N[6]O[6]O)(CC)(H)	H(CP[6]C)	C(CP[6]H)(CCC)	C(P[6]N[6]O[6]O)(CC)(H)	H(CP[6]C)	C(CP[6]H)(CCC)	118.7520	0.000	1	118.7520	0.000	1	118.7520	0.000	1	117.9271	2.543	39	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	4:3:	C-4:C-2:H-1:	C-3:	C-4:C-3:	C(CCHH)(CC)(H)	H(CCC)	C(CCHH)(CCH)	C(CCHH)(CC)(H)	H(CCC)	C(CCHH)(CCH)	118.0130	0.000	1	118.0130	0.000	1	117.2965	1.027	2	117.2965	1.027	2	117.5939	25.359	513	117.5939	25.359	513
930	951	983	0:SP2_SP-NON_SP1	C	H	C	4:2:1:	3:	4:3:	C-4:C-2:H-1:	C-3:	C-4:C-3:	C(CC[5]HH)(CC)(H)	H(CCC)	C(CH3)(CCH)	C(CC[5]HH)(CC)(H)	H(CCC)	C(CH3)(CCH)	116.5800	0.000	1	116.5800	0.000	1	117.2965	1.027	2	117.2965	1.027	2	117.5939	25.359	513	117.5939	25.359	513
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:2:1:1:	C[6a]-3:P-4:H-1:	C-3:	C-3:O-2:O-1:O-1:	C(C[6a]C[6a]2)(PO3)(H)	H(CC[6a]P)	P(CC[6a]H)(OC)(O)2	C(C[6a]C[6a]2)(PO3)(H)	H(CC[6a]P)	P(CC[6a]H)(OC)(O)2	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	120.4390	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:2:2:1:	C-3:P-4:H-1:	C-3:	C-3:O-2:O-2:O-1:	C(CC[6a]Ge)(PO3)(H)	H(CCP)	P(CCH)(OC)2(O)	C(CC[6a]Ge)(PO3)(H)	H(CCP)	P(CCH)(OC)2(O)	115.0620	0.000	1	115.0620	0.000	1	115.8675	1.298	2	117.8833	12.840	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:2:2:1:	C-3:P-4:H-1:	C-3:	C-3:O-2:O-2:O-1:	C(CC[6a]O)(PO3)(H)	H(CCP)	P(CCH)(OC)2(O)	C(CC[6a]O)(PO3)(H)	H(CCP)	P(CCH)(OC)2(O)	116.6730	0.000	1	116.6730	0.000	1	115.8675	1.298	2	117.8833	12.840	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:2:2:1:	C[5a]-3:P-4:H-1:	C-3:	C-3:O-2:O-2:O-1:	C(C[5a]N[5a]S[5a])(PO3)(H)	H(CC[5a]P)	P(CC[5a]H)(OC)2(O)	C(C[5a]N[5a]S[5a])(PO3)(H)	H(CC[5a]P)	P(CC[5a]H)(OC)2(O)	121.9150	0.000	1	121.9150	0.000	1	121.9150	0.000	1	117.8833	12.840	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:1:	C[5,6]-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[5,6]C[5,5,6]C[5,6,6])(PC[6a]2O)(H)	H(CC[5,6]P)	P(C[6a]C[6a]2)2(CC[5,6]H)(O)	C(C[5,6]C[5,5,6]C[5,6,6])(PC[6a]2O)(H)	H(CC[5,6]P)	P(C[6a]C[6a]2)2(CC[5,6]H)(O)	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	113.1340	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:3:	C-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(CC[6a]Re)(PC[6a]3)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(CC[6a]Re)(PC[6a]3)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	116.9398	8.166	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:3:	C[4]-3:P-4:H-1:	C-3:	C[6a]-3:N[6]-3:N[6]-3:C-3:	C(C[4]C[4]N[4])(PC[6a]N[6]2)(H)	H(CC[4]P)	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	C(C[4]C[4]N[4])(PC[6a]N[6]2)(H)	H(CC[4]P)	P(C[6a]C[6a]2)(N[6]C[6]2)2(CC[4]H)	114.7500	0.000	1	114.7500	0.000	1	114.7500	0.000	1	116.9398	8.166	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:3:	C[5]-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]2)(PC[6a]3)(H)	H(CC[5]P)	P(C[6a]C[6a]2)3(CC[5]H)	C(C[5]C[5]2)(PC[6a]3)(H)	H(CC[5]P)	P(C[6a]C[6a]2)3(CC[5]H)	115.2673	1.860	3	115.2673	3.459	3	115.2673	3.459	3	116.9398	8.166	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:3:	C[6]-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:N-3:	C(C[6]C[6]N[6])(PC[6a]2N)(H)	H(CC[6]P)	P(C[6a]C[6a]2)2(CC[6]H)(NSiZn)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	H(CC[6]P)	P(C[6a]C[6a]2)2(CC[6]H)(NSiZn)	120.0570	0.000	1	120.0570	0.000	1	120.0570	0.000	1	116.9398	8.166	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:3:	C[6]-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(C[6]C[6]N[6])(PC[6a]2N)(H)	H(CC[6]P)	P(C[6a]C[6a]2)2(NC[6a]Al)(CC[6]H)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	H(CC[6]P)	P(C[6a]C[6a]2)2(NC[6a]Al)(CC[6]H)	118.0680	0.000	1	118.0680	0.000	1	117.6917	1.476	3	116.9398	8.166	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:3:	C[6]-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(C[6]C[6]N[6])(PC[6a]2N)(H)	H(CC[6]P)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CC[6]H)	C(C[6]C[6]N[6])(PC[6a]2N)(H)	H(CC[6]P)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CC[6]H)	117.5035	1.655	2	117.5035	2.740	2	117.6917	1.476	3	116.9398	8.166	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:3:3:	C[6a]-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(H)	H(CC[6a]P)	P(C[6a]C[6a]2)3(CC[6a]H)	C(C[6a]C[6a]2)(PC[6a]3)(H)	H(CC[6a]P)	P(C[6a]C[6a]2)3(CC[6a]H)	117.5580	5.206	3	117.5580	27.102	3	117.5580	27.102	3	116.9398	8.166	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:3:4:3:	C[5]-3:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6]-4:C-3:	C(C[5]N[5]P[5])(PC[6a]2C[6])(H)	H(CC[5]P)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(CC[5]H)	C(C[5]N[5]P[5])(PC[6a]2C[6])(H)	H(CC[5]P)	P(C[6a]C[6a]2)2(C[6]C[6]2H)(CC[5]H)	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	120.7060	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:4:4:2:	C[6]-3:P-4:H-1:	C-3:	C-3:C-4:C-4:N-2:	C(C[6]N[3x6]C[6])(PCCN)(H)	H(CC[6]P)	P(CC[6]H)(CCCH)2(NSi)	C(C[6]N[3x6]C[6])(PCCN)(H)	H(CC[6]P)	P(CC[6]H)(CCCH)2(NSi)	115.4110	0.000	1	115.4110	0.000	1	115.4110	0.000	1	114.8640	0.556	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:4:4:2:	C[6]-3:P-4:H-1:	C-3:	C-3:C-4:C-4:S-2:	C(C[6]C[6]N[6])(PCCS)(H)	H(CC[6]P)	P(CC[6]H)(CCCH)2(SMg)	C(C[6]C[6]N[6])(PCCS)(H)	H(CC[6]P)	P(CC[6]H)(CCCH)2(SMg)	114.5905	0.814	2	114.5905	0.662	2	114.5905	0.662	2	114.8640	0.556	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:4:4:3:	C-3:P-4:H-1:	C-3:	N-3:C-4:C-4:C-3:	C(CC[6a]N)(PCCN)(H)	H(CCP)	P(NC[6a]Ni)(CCCH)2(CCH)	C(CC[6a]N)(PCCN)(H)	H(CCP)	P(NC[6a]Ni)(CCCH)2(CCH)	117.7220	0.000	2	117.7220	0.000	2	117.7220	0.000	2	117.7220	0.000	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	3:4:4:4:	C[5]-3:P-4:H-1:	C-3:	C-3:C-4:C-4:B-4:	C(C[5]N[5]2)(PBCC)(H)	H(CC[5]P)	P(CC[5]H)(CCCH)2(BH3)	C(C[5]N[5]2)(PBCC)(H)	H(CC[5]P)	P(CC[5]H)(CCCH)2(BH3)	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	4:4:4:3:	C-3:P-4:H-1:	C-3:	C-4:C-4:C-4:C-3:	C(CC[6a]C)(PC3)(H)	H(CCP)	P(CH3)3(CCH)	C(CC[6a]C)(PC3)(H)	H(CCP)	P(CH3)3(CCH)	115.6640	0.000	1	115.6640	0.000	1	112.2997	8.674	3	112.2997	8.674	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	3:4:1:	3:	4:4:4:3:	C-3:P-4:H-1:	C-3:	C-4:C-4:C-4:C-3:	C(CFeC)(PC3)(H)	H(CCP)	P(CCHH)3(CCH)	C(CFeC)(PC3)(H)	H(CCP)	P(CCHH)3(CCH)	110.6175	0.607	2	110.6175	0.369	2	112.2997	8.674	3	112.2997	8.674	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:1:1:	3:	3:2:2:1:	P-4:H-1:H-1:	C-3:	C-3:O-2:O-2:O-1:	C(PO3)(H)2	H(CHP)	P(CHH)(OC)2(O)	C(PO3)(H)2	H(CHP)	P(CHH)(OC)2(O)	104.7715	5.817	2	104.7715	33.842	2	104.7715	33.842	2	104.7715	33.842	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:1:1:	3:	3:3:3:3:	P-4:H-1:H-1:	C-3:	C-3:N-3:N-3:N-3:	C(PN3)(H)2	H(CHP)	P(CHH)(NCC)3	C(PN3)(H)2	H(CHP)	P(CHH)(NCC)3	116.1485	1.653	2	116.1485	2.731	2	116.1485	2.731	2	116.1485	2.731	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:1:1:	3:	3:4:4:3:	P-4:H-1:H-1:	C-3:	C[6]-3:C-4:C-4:C-3:	C(PC[6]CC)(H)2	H(CHP)	P(C[6]C[6]2)(CH3)2(CHH)	C(PC[6]CC)(H)2	H(CHP)	P(C[6]C[6]2)(CH3)2(CHH)	111.2780	1.048	2	111.2780	1.098	2	111.2780	1.098	2	111.2780	1.098	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:1:1:	3:	4:4:4:3:	P-4:H-1:H-1:	C-3:	B-4:C-4:C-4:C-3:	C(PBCC)(H)2	H(CHP)	P(BH3)(CH3)2(CHH)	C(PBCC)(H)2	H(CHP)	P(BH3)(CH3)2(CHH)	111.2670	1.754	2	111.2670	3.075	2	111.2670	3.075	2	111.2670	3.075	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:2:1:	3:	3:4:3:1:	P-4:C-2:H-1:	C-3:	C[6a]-3:C[6]-4:C-3:O-1:	C(PC[6a]C[6]O)(CC)(H)	H(CCP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	C(PC[6a]C[6]O)(CC)(H)	H(CCP)	P(C[6a]C[6a]2)(C[6]C[6]2H)(CCH)(O)	120.7425	0.193	2	120.7425	0.037	2	120.7425	0.037	2	120.7425	0.037	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:2:2:1:	P-4:C-3:H-1:	C-3:	C-3:O-2:O-2:O-1:	C(PO3)(CCC)(H)	H(CCP)	P(CCH)(OC)2(O)	C(PO3)(CCC)(H)	H(CCP)	P(CCH)(OC)2(O)	117.6730	0.000	1	117.6730	0.000	1	118.2177	1.808	3	118.2177	1.808	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:2:2:1:	P-4:C-3:H-1:	C-3:	C-3:O-2:O-2:O-1:	C(PO3)(CCH)(H)	H(CCP)	P(CCH)(OC)2(O)	C(PO3)(CCH)(H)	H(CCP)	P(CCH)(OC)2(O)	118.4900	1.780	2	118.4900	3.170	2	118.2177	1.808	3	118.2177	1.808	3	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:2:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C-3:C-2:O-1:	C(PC[6a]CO)(CC[6a]S)(H)	H(CCP)	P(C[6a]C[6a]2)(CCH)(CC)(O)	C(PC[6a]CO)(CC[6a]S)(H)	H(CCP)	P(C[6a]C[6a]2)(CCH)(CC)(O)	118.1445	0.202	2	118.1445	0.041	2	118.1445	0.041	2	118.1445	0.041	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C-3:C-3:O-1:	C(PC[6a]CO)(CC[6a]H)(H)	H(CCP)	P(C[6a]C[6a]2)(CCH)2(O)	C(PC[6a]CO)(CC[6a]H)(H)	H(CCP)	P(C[6a]C[6a]2)(CCH)2(O)	112.2205	3.880	2	112.2205	15.054	2	112.2205	15.054	2	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:H-1:	C(PC[6a]2H)(CBH)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(H)	C(PC[6a]2H)(CBH)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(H)	118.7470	0.000	1	118.7470	0.000	1	118.7470	0.000	1	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCI)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CCI)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	115.8310	0.000	1	115.8310	0.000	1	117.4358	3.601	5	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6]H)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CC[6]H)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	117.8690	0.000	1	117.8690	0.000	1	117.4358	3.601	5	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6a]Te)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CC[6a]Te)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	117.3720	0.000	1	117.3720	0.000	1	117.4358	3.601	5	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	120.3850	0.000	1	120.3850	0.000	1	117.4358	3.601	5	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(O)	115.7220	0.000	1	115.7220	0.000	1	117.4358	3.601	5	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(CC[6a]H)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(S)	C(PC[6a]2S)(CC[6a]H)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(S)	114.3730	0.000	1	114.3730	0.000	1	115.2080	1.394	2	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(CC[6a]P)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(S)	C(PC[6a]2S)(CC[6a]P)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(S)	116.0430	0.000	1	116.0430	0.000	1	115.2080	1.394	2	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:Se-1:	C(PC[6a]2Se)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(Se)	C(PC[6a]2Se)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)2(CCH)(Se)	118.6585	0.053	2	118.6585	0.003	2	118.6585	0.003	2	116.5083	8.142	12	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:2:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6]-3:C-3:O-2:	C(PC[6a]C[6]O)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	C(PC[6a]C[6]O)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	117.9610	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCH)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	116.9635	0.259	4	116.9635	0.067	4	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCN)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCN)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	118.1310	1.908	6	118.1310	3.642	6	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCO)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	118.6493	1.051	3	118.6493	1.106	3	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5]O)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CC[5]O)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	114.0630	0.000	1	114.0630	0.000	1	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5a]O)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CC[5a]O)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	120.8200	0.000	1	120.8200	0.000	1	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]O)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CC[6a]O)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	118.8261	1.925	7	118.8261	3.704	7	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CHO)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CHO)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	117.7720	0.000	1	117.7720	0.000	1	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CIrC)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CIrC)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	118.0207	0.325	3	118.0207	0.106	3	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COO)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(COO)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	118.7075	1.029	2	118.7075	1.059	2	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CReC)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CReC)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	116.1890	0.000	1	116.1890	0.000	1	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CRhC)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CRhC)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	118.2650	0.000	1	118.2650	0.000	1	118.0986	2.832	30	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(CC[6a]N)(H)	H(CCP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CCH)	C(PC[6a]2N)(CC[6a]N)(H)	H(CCP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CCH)	119.5560	0.720	3	119.5560	0.519	3	118.1282	4.422	5	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(CC[6a]N)(H)	H(CCP)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	C(PC[6a]2N)(CC[6a]N)(H)	H(CCP)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	116.8120	0.000	1	116.8120	0.000	1	118.1282	4.422	5	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(CC[6a]O)(H)	H(CCP)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	C(PC[6a]2N)(CC[6a]O)(H)	H(CCP)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	115.1610	0.000	1	115.1610	0.000	1	118.1282	4.422	5	118.1028	2.936	35	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:3:4:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(CC[6a]C)(H)	H(CCP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	C(PC[6a]2C)(CC[6a]C)(H)	H(CCP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	117.0350	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:4:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(CC3)(CCH)(O)	C(PC[6a]CO)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(CC3)(CCH)(O)	119.8350	0.000	1	119.8350	0.000	1	119.2983	0.129	10	119.2983	0.129	10	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:4:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	C(PC[6a]CO)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	119.3770	0.000	1	119.3770	0.000	1	119.2983	0.129	10	119.2983	0.129	10	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:4:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	C(PC[6a]CO)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	119.1517	0.275	4	119.1517	0.076	4	119.2983	0.129	10	119.2983	0.129	10	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:4:3:1:	P-4:C-3:H-1:	C-3:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	C(PC[6a]CO)(CHP)(H)	H(CCP)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	119.2910	0.430	4	119.2910	0.184	4	119.2983	0.129	10	119.2983	0.129	10	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	3:4:3:3:	P-4:C-3:H-1:	C-3:	C[6a]-3:B-4:C-3:C-3:	C(PC[6a]BC)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(BC[6a]HH)(CCH)2	C(PC[6a]BC)(CHH)(H)	H(CCP)	P(C[6a]C[6a]2)(BC[6a]HH)(CCH)2	118.6320	0.505	2	118.6320	0.255	2	118.6320	0.255	2	118.6320	0.255	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	4:3:1:1:	P-4:N-3:H-1:	C-3:	C-4:C-3:O-1:O-1:	C(PCOO)(NNiH)(H)	H(CNP)	P(CHHN)(CHN)(O)2	C(PCOO)(NNiH)(H)	H(CNP)	P(CHHN)(CHN)(O)2	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	4:3:3:2:	P-4:C-3:H-1:	C-3:	B-4:C-3:C-3:C-2:	C(PBCC)(CHH)(H)	H(CCP)	P(BI3)(CCH)2(CC)	C(PBCC)(CHH)(H)	H(CCP)	P(BI3)(CCH)2(CC)	114.0360	3.598	2	114.0360	12.944	2	114.0360	12.944	2	114.0360	12.944	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	4:3:3:3:	P-4:C-3:H-1:	C-3:	B-4:C-3:C-3:C-3:	C(PBCC)(CHH)(H)	H(CCP)	P(BBr3)(CCH)3	C(PBCC)(CHH)(H)	H(CCP)	P(BBr3)(CCH)3	113.6397	2.440	3	113.6397	5.955	3	113.9068	3.692	6	114.4227	6.470	9	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	4:3:3:3:	P-4:C-3:H-1:	C-3:	B-4:C-3:C-3:C-3:	C(PBCC)(CHH)(H)	H(CCP)	P(BCl3)(CCH)3	C(PBCC)(CHH)(H)	H(CCP)	P(BCl3)(CCH)3	114.1740	1.749	3	114.1740	3.060	3	113.9068	3.692	6	114.4227	6.470	9	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	4:3:3:3:	P-4:C-3:H-1:	C-3:	C[6]-4:C-3:C-3:C-3:	C(PC[6]CC)(CHH)(H)	H(CCP)	P(C[6]C[6]2H)(CCH)3	C(PC[6]CC)(CHH)(H)	H(CCP)	P(C[6]C[6]2H)(CCH)3	115.4543	3.776	3	115.4543	14.258	3	115.4543	14.258	3	114.4227	6.470	9	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	4:4:4:3:	P-4:C-3:H-1:	C-3:	C-4:C-4:C-4:C-3:	C(PC3)(CBH)(H)	H(CCP)	P(CC3)3(CCH)	C(PC3)(CBH)(H)	H(CCP)	P(CC3)3(CCH)	113.1260	0.000	1	113.1260	0.000	1	115.5800	12.044	2	115.5800	12.044	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:3:1:	3:	4:4:4:3:	P-4:C-3:H-1:	C-3:	C-4:C-4:C-4:C-3:	C(PC3)(CCO)(H)	H(CCP)	P(CC3)2(CH3)(CCH)	C(PC3)(CCO)(H)	H(CCP)	P(CC3)2(CH3)(CCH)	118.0340	0.000	1	118.0340	0.000	1	115.5800	12.044	2	115.5800	12.044	2	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:2:1:1:	N-4:P-4:H-1:	C-3:	C-3:O-2:O-1:O-1:	C(NCCH)(PO3)(H)	H(CNP)	P(CHN)(OH)(O)2	C(NCCH)(PO3)(H)	H(CNP)	P(CHN)(OH)(O)2	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	119.6380	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:2:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a])(CHP)	115.1610	1.713	6	115.1610	2.935	6	115.1610	2.935	6	115.7305	4.465	15	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:2:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Li)(PC[6a]2Se)(H)	H(CPP)	P(C[6a]C[6a]2)2(SeLi)(CHP)	C(PC[6a]2Li)(PC[6a]2Se)(H)	H(CPP)	P(C[6a]C[6a]2)2(SeLi)(CHP)	118.3870	0.000	1	118.3870	0.000	1	116.1102	5.574	9	115.7305	4.465	15	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:2:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Se)2(H)	H(CPP)	P(C[6a]C[6a]2)2(SeHg)(CHP)	C(PC[6a]2Se)2(H)	H(CPP)	P(C[6a]C[6a]2)2(SeHg)(CHP)	116.9027	1.389	4	116.9027	1.930	4	116.1102	5.574	9	115.7305	4.465	15	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:2:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Se)2(H)	H(CPP)	P(C[6a]C[6a]2)2(SeLi)(CHP)	C(PC[6a]2Se)2(H)	H(CPP)	P(C[6a]C[6a]2)2(SeLi)(CHP)	116.3655	0.043	2	116.3655	0.002	2	116.1102	5.574	9	115.7305	4.465	15	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:2:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:Se-2:C-3:	C(PC[6a]2Se)2(H)	H(CPP)	P(C[6a]C[6a]2)2(SeZn)(CHP)	C(PC[6a]2Se)2(H)	H(CPP)	P(C[6a]C[6a]2)2(SeZn)(CHP)	113.1315	3.637	2	113.1315	13.225	2	116.1102	5.574	9	115.7305	4.465	15	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:1:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2N)(PC[6a]2S)(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(S)	C(PC[6a]2N)(PC[6a]2S)(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(S)	119.6975	0.397	4	119.6975	0.157	4	119.6975	0.157	4	119.6975	0.157	4	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:2:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(NC)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(NC)	116.2360	0.000	1	116.2360	0.000	1	116.2360	0.000	1	115.3896	4.380	7	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:2:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C(PC[6a]2O)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(OAl)	C(PC[6a]2O)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(OAl)	112.8250	2.783	2	112.8250	7.746	2	112.8250	7.746	2	115.3896	4.380	7	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:2:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:S-2:	C(PC[6a]2S)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(SLi)	C(PC[6a]2S)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(SLi)	116.4603	0.161	4	116.4603	0.026	4	116.4603	0.026	4	115.3896	4.380	7	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:C-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCHH)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCHH)(H)	H(CCP)	P(C[6a]C[6a]2)3(CCH)	118.2830	0.000	1	118.2830	0.000	1	118.2830	0.000	1	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C(PC[6a]2Li)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(CNO)	C(PC[6a]2Li)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(CNO)	117.4580	0.000	1	117.4580	0.000	1	122.2103	17.137	3	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:C-3:	C(PC[6a]2Ni)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CNiP)(CHP)	C(PC[6a]2Ni)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CNiP)(CHP)	124.5865	0.630	2	124.5865	0.397	2	122.2103	17.137	3	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-3:N-3:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(NCH)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(CHP)(NCH)	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(H)	H(CPP)	P(C[6a]C[6a]2)3(CHP)	C(PC[6a]3)2(H)	H(CPP)	P(C[6a]C[6a]2)3(CHP)	115.6573	0.062	4	115.6573	0.004	4	115.6573	0.004	4	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(PC[6a]2S)(H)	H(CPP)	P(C[6a]C[6a]2)2(NFeC)(CHP)	C(PC[6a]2N)(PC[6a]2S)(H)	H(CPP)	P(C[6a]C[6a]2)2(NFeC)(CHP)	119.7075	0.386	4	119.7075	0.149	4	116.7287	6.438	14	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CHP)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CHP)	117.1995	0.047	2	117.1995	0.002	2	116.7287	6.438	14	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]Be)(CHP)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]Be)(CHP)	115.2345	0.080	2	115.2345	0.006	2	116.7287	6.438	14	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]C)(CHP)	113.1570	3.629	2	113.1570	13.169	2	116.7287	6.438	14	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]Cr)(CHP)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NC[6a]Cr)(CHP)	115.3860	0.198	2	115.3860	0.039	2	116.7287	6.438	14	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:3:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NSiZn)(CHP)	C(PC[6a]2N)2(H)	H(CPP)	P(C[6a]C[6a]2)2(NSiZn)(CHP)	116.7090	0.717	2	116.7090	0.514	2	116.7287	6.438	14	117.3030	9.446	23	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:4:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:B-4:C-3:	C(PC[6a]2B)2(H)	H(CPP)	P(C[6a]C[6a]2)2(BH3)(CHP)	C(PC[6a]2B)2(H)	H(CPP)	P(C[6a]C[6a]2)2(BH3)(CHP)	114.2820	0.585	2	114.2820	0.343	2	114.2820	0.343	2	116.4878	6.655	4	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:4:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2Ir)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CIrHN)(CHP)	C(PC[6a]2Ir)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CIrHN)(CHP)	118.4100	0.000	1	118.4100	0.000	1	118.6935	0.161	2	116.4878	6.655	4	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:4:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2Pd)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CPdCH)(CHP)	C(PC[6a]2Pd)(PC[6a]2C)(H)	H(CPP)	P(C[6a]C[6a]2)2(CPdCH)(CHP)	118.9770	0.000	1	118.9770	0.000	1	118.6935	0.161	2	116.4878	6.655	4	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	3:3:5:3:	P-4:P-4:H-1:	C-3:	C[6a]-3:C[6a]-3:B-5:C-3:	C(PC[6a]2B)(PLiCC)(H)	H(CPP)	P(C[6a]C[6a]2)2(BLiH3)(CHP)	C(PC[6a]2B)(PLiCC)(H)	H(CPP)	P(C[6a]C[6a]2)2(BLiH3)(CHP)	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	119.4720	0.000	1	116.6869	10.248	174	116.6869	10.248	174
930	951	992	0:SP2_SP-NON_SP3	C	H	P	4:4:1:	3:	4:4:2:3:	P-4:P-4:H-1:	C-3:	C-4:C-4:Se-2:C-3:	C(PSeCC)2(H)	H(CPP)	P(CCCH)2(SeLi)(CHP)	C(PSeCC)2(H)	H(CPP)	P(CCCH)2(SeLi)(CHP)	113.1995	0.008	2	113.1995	0.000	2	113.1995	0.000	2	113.1995	0.000	2	116.6869	10.248	174	116.6869	10.248	174
930	951	996	0:SP2_SP-NON_SP3	C	H	Si[4]	4:3:1:	3:	3:4:3:3:	Si[4]-4:C-3:H-1:	C-3:	C[4,6a]-3:C[4]-4:C[6a]-3:C-3:	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	H(CSi[4]C)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH)	C(Si[4]C[4,6a]C[6a]C[4])(CC[6a]C)(H)	H(CSi[4]C)	Si[4](C[4,6a]C[4,6a]C[6a])(C[4]C[4,6a]CC)(C[6a]C[6a]2)(CCH){3|C<4>,4|C<3>}	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1	113.9720	0.000	1
930	951	999	0:SP2_SP-NON_SP3	C	H	N[5,5]	4:1:1:	3:	4:4:4:3:	N[5,5]-4:H-1:H-1:	C-3:	C[5]-4:C[5,5]-4:C[5]-4:C-3:	C(N[5,5]C[5,5]C[5]2)(H)2	H(CN[5,5]H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH)	C(N[5,5]C[5,5]C[5]2)(H)2	H(CN[5,5]H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)(CHH){3|C<3>,7|H<1>}	107.5390	0.963	2	107.5390	0.928	2	107.5390	0.928	2	107.5390	0.928	2	107.5390	0.928	2	114.5000	69.430	4
930	951	999	0:SP2_SP-NON_SP3	C	H	N[5]	4:3:1:	3:	4:4:3:1:	N[5]-4:C-3:H-1:	C-3:	C[5]-4:C[5]-4:C-3:O-1:	C(N[5]C[5]2O)(CCH)(H)	H(CN[5]C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O)	C(N[5]C[5]2O)(CCH)(H)	H(CN[5]C)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)(O){4|H<1>}	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	121.4610	13.541	2	114.5000	69.430	4
930	951	999	0:SP2_SP-NON_SP3	C	H	N[5]	4:4:1:	3:	4:3:3:1:	N[5]-4:C-4:H-1:	C-3:	C[5]-4:C[5]-3:C-3:H-1:	C(N[5]C[5]2H)(CHHN)(H)	H(CN[5]C)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H)	C(N[5]C[5]2H)(CHHN)(H)	H(CN[5]C)	N[5](C[5]C[5]HH)(C[5]C[5]H)(CCH)(H){2|H<1>}	124.0630	0.000	1	124.0630	0.000	1	124.0630	0.000	1	124.0630	0.000	1	121.4610	13.541	2	114.5000	69.430	4
930	952	952	0:SP2_SP3_SP3	C	S	S	2:4:4:	3:4:1:1:	3:4:1:1:	Br-2:S-4:S-4:	C-3:C-4:O-1:O-1:	C-3:C-4:O-1:O-1:	C(BrC[6])(SCOO)2	S(CBrS)(CF3)(O)2	S(CBrS)(CF3)(O)2	C(BrC[6])(SCOO)2	S(CBrS)(CF3)(O)2	S(CBrS)(CF3)(O)2	125.3670	0.000	1	125.3670	0.000	1	125.3670	0.000	1	125.3670	0.000	1	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	3:4:4:	3:3:1:1:	3:3:1:1:	N[6]-3:S-4:S-4:	C[6a]-3:C-3:O-1:O-1:	C[6a]-3:C-3:O-1:O-1:	C(N[6]C[6]2)(SC[6a]OO)2	S(C[6a]C[6a]2)(CN[6]S)(O)2	S(C[6a]C[6a]2)(CN[6]S)(O)2	C(N[6]C[6]2)(SC[6a]OO)2	S(C[6a]C[6a]2)(CN[6]S)(O)2	S(C[6a]C[6a]2)(CN[6]S)(O)2	124.6930	0.000	1	124.6930	0.000	1	124.6930	0.000	1	124.6930	0.000	1	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:S-4:S-4:	C-3:C-4:O-1:O-1:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)2	S(CC[6a]S)(CF3)(O)2	S(CC[6a]S)(CF3)(O)2	C(C[6a]C[6a]2)(SCOO)2	S(CC[6a]S)(CF3)(O)2	S(CC[6a]S)(CF3)(O)2	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	4:4:1:	4:3:1:1:	4:3:1:1:	S-4:S-4:Br-1:	C-4:C-3:O-1:O-1:	C-4:C-3:O-1:O-1:	C(SCOO)2(Br)	S(CCFF)(CBrS)(O)2	S(CCFF)(CBrS)(O)2	C(SCOO)2(Br)	S(CCFF)(CBrS)(O)2	S(CCFF)(CBrS)(O)2	124.6930	0.000	1	124.6930	0.000	1	124.6930	0.000	1	126.3210	5.301	2	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	4:4:1:	4:3:1:1:	4:3:1:1:	S-4:S-4:H-1:	C-4:C-3:O-1:O-1:	C-4:C-3:O-1:O-1:	C(SCOO)2(H)	S(CF3)(CHS)(O)2	S(CF3)(CHS)(O)2	C(SCOO)2(H)	S(CF3)(CHS)(O)2	S(CF3)(CHS)(O)2	127.9490	0.000	1	127.9490	0.000	1	127.9490	0.000	1	126.3210	5.301	2	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	4:4:3:	3:3:1:1:	3:3:1:1:	S-4:S-4:C-3:	C[6a]-3:C-3:O-1:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)2(CC[6a]H)	S(C[6a]C[6a]2)(CCS)(O)2	S(C[6a]C[6a]2)(CCS)(O)2	C(SC[6a]OO)2(CC[6a]H)	S(C[6a]C[6a]2)(CCS)(O)2	S(C[6a]C[6a]2)(CCS)(O)2	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	C-4:C-3:O-1:O-1:	C-4:C-3:O-1:O-1:	C(CC[5]HH)(SCOO)2	S(CF3)(CCS)(O)2	S(CF3)(CCS)(O)2	C(CC[5]HH)(SCOO)2	S(CF3)(CCS)(O)2	S(CF3)(CCS)(O)2	120.1647	0.411	7	120.1647	0.169	7	121.1712	2.117	26	121.1712	2.117	26	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	C-4:C-3:O-1:O-1:	C-4:C-3:O-1:O-1:	C(CN[5]HH)(SCOO)2	S(CF3)(CCS)(O)2	S(CF3)(CCS)(O)2	C(CN[5]HH)(SCOO)2	S(CF3)(CCS)(O)2	S(CF3)(CCS)(O)2	121.0164	0.253	5	121.0164	0.064	5	121.1712	2.117	26	121.1712	2.117	26	121.5727	5.222	32	121.5727	5.222	32
930	952	952	0:SP2_SP3_SP3	C	S	S	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	C-4:C-3:O-1:O-1:	C-4:C-3:O-1:O-1:	C(CN[6]HH)(SCOO)2	S(CF3)(CCS)(O)2	S(CF3)(CCS)(O)2	C(CN[6]HH)(SCOO)2	S(CF3)(CCS)(O)2	S(CF3)(CCS)(O)2	121.7296	1.756	14	121.7296	3.083	14	121.1712	2.117	26	121.1712	2.117	26	121.5727	5.222	32	121.5727	5.222	32
930	952	955	0:SP2_SP3_SP3	C	S	P[5]	4:3:4:	3:4:1:1:	3:3:2:3:	P[5]-4:C-3:S-4:	C-3:C-4:O-1:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	S(CP[5]C)(CF3)(O)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS)	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	S(CP[5]C)(CF3)(O)2	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS){1|H<1>,4|C<3>,4|C<4>}	132.1960	0.331	2	132.1960	0.110	2	132.1960	0.110	2	132.1960	0.110	2	132.1960	0.110	2	132.1960	0.110	2
930	952	956	0:SP2_SP2_SP3	C	S	N	4:3:2:	3:1:1:1:	3:1:1:	S-4:N-3:N-2:	C-3:O-1:O-1:O-1:	C-3:H-1:H-1:	C(SO3)(NHH)(NN)	S(CNN)(O)3	N(CNS)(H)2	C(SO3)(NHH)(NN)	S(CNN)(O)3	N(CNS)(H)2	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1	114.8660	0.000	1
930	952	983	0:SP2_SP1_SP3	C	S	C	3:4:2:	3:3:1:1:	3:3:	C[6a]-3:S-4:C-2:	C[6a]-3:C-3:O-1:O-1:	C-3:C-3:	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(CC[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(CC[6a]2)(CC[6a]S)	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	117.4430	0.000	1	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	3:4:2:	3:4:1:1:	3:3:	C[6a]-3:S-4:C-2:	C-3:C-4:O-1:O-1:	C-3:C-3:	C(C[6a]C[6a]2)(SCOO)(CC)	S(CC[6a]C)(CCHH)(O)2	C(CC[6a]S)2	C(C[6a]C[6a]2)(SCOO)(CC)	S(CC[6a]C)(CCHH)(O)2	C(CC[6a]S)2	112.3925	2.637	2	112.3925	6.953	2	112.3925	6.953	2	112.3925	6.953	2	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	3:4:2:	3:4:4:1:	3:1:	C[6a]-3:S-4:C-2:	C-3:C-4:C-4:O-1:	C-3:N-1:	C(C[6a]C[6a]2)(SCCO)(CN)	S(CC[6a]C)(CH3)2(O)	C(CC[6a]S)(N)	C(C[6a]C[6a]2)(SCCO)(CN)	S(CC[6a]C)(CH3)2(O)	C(CC[6a]S)(N)	116.8220	1.561	3	116.8220	2.438	3	117.1480	2.050	4	117.1480	2.050	4	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	3:4:2:	3:4:4:1:	3:1:	C[6a]-3:S-4:C-2:	C-3:C-4:C-4:O-1:	C-3:N-1:	C(C[6a]C[6a]N[6a])(SCCO)(CN)	S(CC[6a]C)(CH3)2(O)	C(CC[6a]S)(N)	C(C[6a]C[6a]N[6a])(SCCO)(CN)	S(CC[6a]C)(CH3)2(O)	C(CC[6a]S)(N)	118.1260	0.000	1	118.1260	0.000	1	117.1480	2.050	4	117.1480	2.050	4	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	3:4:2:	4:4:4:3:	3:1:	C-3:S-4:C-2:	C-4:C-4:C-4:C-3:	C-3:O-1:	C(CC[6a]C)(SC3)(CO)	S(CC3)(CH3)2(CCC)	C(CCS)(O)	C(CC[6a]C)(SC3)(CO)	S(CC3)(CH3)2(CCC)	C(CCS)(O)	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	116.6210	0.000	1	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	4:2:1:	4:3:2:1:	3:2:	S-4:C-2:H-1:	C-4:C-3:O-2:O-1:	C-3:N-2:	C(SCOO)(CN)(H)	S(CH3)(CCH)(OLi)(O)	C(CHS)(NLi)	C(SCOO)(CN)(H)	S(CH3)(CCH)(OLi)(O)	C(CHS)(NLi)	120.7230	0.000	1	120.7230	0.000	1	120.7230	0.000	1	120.7230	0.000	1	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	4:3:2:	3:3:1:1:	3:1:	S-4:C-3:C-2:	C[6a]-3:C-3:O-1:O-1:	C-3:N-1:	C(SC[6a]OO)(CHO)(CN)	S(C[6a]C[6a]2)(CCC)(O)2	C(CCS)(N)	C(SC[6a]OO)(CHO)(CN)	S(C[6a]C[6a]2)(CCC)(O)2	C(CCS)(N)	116.9850	0.000	1	116.9850	0.000	1	113.9036	1.604	14	113.9036	1.604	14	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	4:3:2:	3:3:1:1:	3:1:	S-4:C-3:C-2:	C[6a]-3:C-3:O-1:O-1:	C-3:N-1:	C(SC[6a]OO)(CNS)(CN)	S(C[6a]C[6a]2)(CCC)(O)2	C(CCS)(N)	C(SC[6a]OO)(CNS)(CN)	S(C[6a]C[6a]2)(CCC)(O)2	C(CCS)(N)	113.6665	0.941	13	113.6665	0.886	13	113.9036	1.604	14	113.9036	1.604	14	114.8594	5.440	24	114.8594	5.440	24
930	952	983	0:SP2_SP1_SP3	C	S	C	4:3:2:	4:3:1:1:	3:1:	S-4:C-3:C-2:	C-4:C-3:O-1:O-1:	C-3:N-1:	C(SCOO)(CHN)(CN)	S(CH3)(CCC)(O)2	C(CCS)(N)	C(SCOO)(CHN)(CN)	S(CH3)(CCC)(O)2	C(CCS)(N)	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	113.8110	0.000	1	114.8594	5.440	24	114.8594	5.440	24
930	952	991	0:SP2_SP-NON_SP3	C	S	Br	2:4:4:	3:4:1:1:	3:3:	Br-2:S-4:S-4:	C-3:C-4:O-1:O-1:	C[6]-3:C-3:	C(BrC[6])(SCOO)2	S(CBrS)(CF3)(O)2	Br(C[6]C[6]2)(CSS)	C(BrC[6])(SCOO)2	S(CBrS)(CF3)(O)2	Br(C[6]C[6]2)(CSS)	117.0540	0.434	2	117.0540	0.188	2	117.0540	0.188	2	117.0540	0.188	2	117.0540	0.188	2	117.0540	0.188	2
930	953	992	0:SP2_SP-NON_SP3	C	I	P	4:2:3:	3:3:	3:3:3:3:	P-4:I-2:C-3:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(IC[6a])(COO)	I(C[6a]C[6a]2)(CCP)	P(C[6a]C[6a]2)3(CCI)	C(PC[6a]3)(IC[6a])(COO)	I(C[6a]C[6a]2)(CCP)	P(C[6a]C[6a]2)3(CCI)	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:1:1:	3:1:1:	N-2:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[5a])(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[5a])(NHH)2	N(CNN)(H)2	N(CNN)(H)2	118.5148	1.051	6	118.5148	1.106	6	118.5148	1.106	6	120.0498	4.821	10	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:1:1:	3:1:1:	S-2:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(SC[5])(NHH)2	N(CNS)(H)2	N(CNS)(H)2	C(SC[5])(NHH)2	N(CNS)(H)2	N(CNS)(H)2	121.9960	0.000	1	121.9960	0.000	1	122.3522	0.840	4	120.0498	4.821	10	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:1:1:	3:1:1:	S-2:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(SC[5a])(NHH)2	N(CNS)(H)2	N(CNS)(H)2	C(SC[5a])(NHH)2	N(CNS)(H)2	N(CNS)(H)2	121.2200	0.000	1	121.2200	0.000	1	122.3522	0.840	4	120.0498	4.821	10	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:1:1:	3:1:1:	S-2:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(SC[6a])(NHH)2	N(CNS)(H)2	N(CNS)(H)2	C(SC[6a])(NHH)2	N(CNS)(H)2	N(CNS)(H)2	123.0965	0.049	2	123.0965	0.002	2	122.3522	0.840	4	120.0498	4.821	10	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:1:1:	3:3:1:	N-2:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NC[6a])(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	C(NC[6a])(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	113.9527	2.851	3	113.9527	8.127	3	113.9527	8.127	3	113.9527	8.127	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:2:1:	3:1:1:	S-2:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(SIn[5,5])(NHH)(NHN)	N(CNS)(NC)(H)	N(CNS)(H)2	C(SIn[5,5])(NHH)(NHN)	N(CNS)(NC)(H)	N(CNS)(H)2	115.0340	0.000	1	115.0340	0.000	1	115.0340	0.000	1	115.0340	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:3:1:	4:4:3:	N-2:N-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a])(NCC)(NCH)	N(CCO)(CNN)(H)	N(CCHH)2(CNN)	C(NC[6a])(NCC)(NCH)	N(CCO)(CNN)(H)	N(CCHH)2(CNN)	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	3:4:3:	4:3:1:	N-2:N-3:N-3:	P-3:C-4:C-3:	C-4:C-3:H-1:	C(NC[6a])(NCH)(NCP)	N(PC[6a]2)(CCCH)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)(NCP)	N(PC[6a]2)(CCCH)(CNN)	N(CCCH)(CNN)(H)	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:1:	3:2:1:	S-2:N-3:N-3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(SIn[5,5])(NCH)(NHN)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	C(SIn[5,5])(NCH)(NHN)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	114.6640	0.000	1	114.6640	0.000	1	114.6640	0.000	1	114.6640	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:1:	4:3:1:	N-2:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[5])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	117.4190	0.000	1	117.4190	0.000	1	115.0737	2.958	7	116.0244	9.765	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:1:	4:3:1:	N-2:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	116.5400	0.000	1	116.5400	0.000	1	115.0737	2.958	7	116.0244	9.765	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:1:	4:3:1:	N-2:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	114.3114	1.341	5	114.3114	1.797	5	115.0737	2.958	7	116.0244	9.765	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:1:	4:3:1:	S-2:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(SC[5])(NCH)2	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(SC[5])(NCH)2	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	122.6790	0.000	1	122.6790	0.000	1	122.6790	0.000	1	116.0244	9.765	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:3:3:	4:3:1:	N-2:N-3:N-3:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(NC[6a])(NCC)(NCH)	N(CCHH)(CCN)(CNN)	N(CCHH)(CNN)(H)	C(NC[6a])(NCC)(NCH)	N(CCHH)(CCN)(CNN)	N(CCHH)(CNN)(H)	113.6560	0.000	1	113.6560	0.000	1	113.6560	0.000	1	113.6560	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:4:3:	4:4:3:	N-2:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[5])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[5])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	114.7020	0.361	2	114.7020	0.130	2	115.9158	6.224	22	116.1244	6.942	23	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:4:3:	4:4:3:	N-2:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6a])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	115.7327	2.782	16	115.7327	7.739	16	115.9158	6.224	22	116.1244	6.942	23	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:4:3:	4:4:3:	N-2:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NP[6])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NP[6])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	117.2550	1.130	4	117.2550	1.276	4	115.9158	6.224	22	116.1244	6.942	23	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	2:3:3:	4:4:3:	4:4:3:	S-2:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(SC[5a])(NCC)2	N(CH3)2(CNS)	N(CH3)2(CNS)	C(SC[5a])(NCC)2	N(CH3)2(CNS)	N(CH3)2(CNS)	120.7150	0.000	1	120.7150	0.000	1	120.7150	0.000	1	116.1244	6.942	23	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:1:	3:1:1:	N-3:N-2:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NC[6a])(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	113.0620	0.225	2	113.0620	0.051	2	113.0620	0.051	2	113.0620	0.051	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:1:	3:3:1:	N-3:N-2:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[5]O)(CNN)(H)	C(NC[6a]H)(NC[6a])(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[5]O)(CNN)(H)	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	112.8880	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:1:	4:3:1:	N-3:N-2:N-3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NC[5a])(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(CCHH)(CNN)(H)	C(NC[6a]H)(NC[5a])(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(CCHH)(CNN)(H)	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	116.0080	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:3:1:	4:4:3:	N-3:N-2:N-3:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)(H)	N(CCCH)2(CNN)	C(NC[6a]H)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CNN)(H)	N(CCCH)2(CNN)	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	117.4280	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	3:4:3:	4:4:3:	N-3:N-2:N-3:	C[6a]-3:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CH3)2(CNN)	C(NC[6a]C)(NC[6a])(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CH3)2(CNN)	115.4590	0.503	2	115.4590	0.253	2	115.4590	0.253	2	115.4590	0.253	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:2:3:	4:4:3:	4:4:3:	N-3:N-2:N-3:	C[6]-4:Si-4:C-3:	Si-4:Si-4:C-3:	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(SiC3)(CNN)	N(SiC3)2(CNN)	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(SiC3)(CNN)	N(SiC3)2(CNN)	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	119.3600	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:O-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NC[5])(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NC[5])(CNO)(H)	N(CNO)(H)2	118.0640	0.245	2	118.0640	0.060	2	117.1912	1.521	4	116.7335	0.636	25	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:O-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NC[6,6])(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NC[6,6])(CNO)(H)	N(CNO)(H)2	117.1720	0.000	1	117.1720	0.000	1	117.1912	1.521	4	116.7335	0.636	25	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:O-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NC[6])(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NC[6])(CNO)(H)	N(CNO)(H)2	115.4650	0.000	1	115.4650	0.000	1	117.1912	1.521	4	116.7335	0.636	25	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(NC[5,6])(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(NC[5,6])(CNS)(H)	N(CNS)(H)2	116.9160	0.031	2	116.9160	0.001	2	116.6463	0.485	21	116.7335	0.636	25	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(NC[5])(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(NC[5])(CNS)(H)	N(CNS)(H)2	116.2491	0.532	8	116.2491	0.283	8	116.6463	0.485	21	116.7335	0.636	25	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CNS)(H)2	116.8861	0.754	11	116.8861	0.569	11	116.6463	0.485	21	116.7335	0.636	25	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	4:3:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(S)	N(NC[5])(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(S)	N(NC[5])(CNS)(H)	N(CCHH)(CNS)(H)	116.1412	0.664	6	116.1412	0.441	6	116.3174	0.389	19	116.3174	0.389	19	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	4:3:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(S)	N(NC[5])(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(S)	N(NC[5])(CNS)(H)	N(CH3)(CNS)(H)	116.3285	0.590	8	116.3285	0.348	8	116.3174	0.389	19	116.3174	0.389	19	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	4:3:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CCHH)(CNS)(H)	116.1010	0.000	1	116.1010	0.000	1	116.3174	0.389	19	116.3174	0.389	19	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:3:1:	4:3:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CH3)(CNS)(H)	116.6137	0.769	4	116.6137	0.591	4	116.3174	0.389	19	116.3174	0.389	19	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	2:4:3:	3:4:3:	N-3:N-3:O-1:	S-2:C-4:C-3:	As-3:C-4:C-3:	C(NAsC)(NCS)(O)	N(SC[6a])(CH3)(CNO)	N(AsClC)(CH3)(CNO)	C(NAsC)(NCS)(O)	N(SC[6a])(CH3)(CNO)	N(AsClC)(CH3)(CNO)	115.9900	1.404	2	115.9900	1.972	2	115.9900	1.972	2	115.9900	1.972	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:1:1:	3:1:1:	N-3:N-3:H-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(H)	N(CHN)(H)2	N(CHN)(H)2	C(NHH)2(H)	N(CHN)(H)2	N(CHN)(H)2	124.3215	3.538	42	124.3215	12.515	42	124.3215	12.515	42	118.9851	8.312	296	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:1:1:	3:1:1:	N-3:N-3:H-1:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(NOO)2(H)	N(CHN)(O)2	N(CHN)(O)2	C(NOO)2(H)	N(CHN)(O)2	N(CHN)(O)2	124.5558	0.662	5	124.5558	0.438	5	124.5558	0.438	5	118.9851	8.312	296	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:1:1:	3:1:1:	N-3:N-3:N-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(N)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(N)	N(CNN)(H)2	N(CNN)(H)2	120.4513	1.065	4	120.4513	1.133	4	120.4513	1.133	4	118.9851	8.312	296	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:1:1:	3:1:1:	N-3:N-3:O-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(O)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(O)	N(CNO)(H)2	N(CNO)(H)2	117.9688	1.165	152	117.9688	1.358	152	117.9688	1.358	152	118.9851	8.312	296	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:1:1:	3:1:1:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(S)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(S)	N(CNS)(H)2	N(CNS)(H)2	117.8735	1.027	93	117.8735	1.054	93	117.8735	1.054	93	118.9851	8.312	296	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:1:1:	3:3:1:	N-3:N-3:N-1:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)(N)	N(CNN)(H)2	N(CNN)2(H)	C(NCH)(NHH)(N)	N(CNN)(H)2	N(CNN)2(H)	118.2660	0.000	1	118.2660	0.000	1	118.2660	0.000	1	117.5324	2.375	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:1:1:	3:3:1:	N-3:N-3:O-1:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)(O)	N(CNO)(H)2	N(CNO)2(H)	C(NCH)(NHH)(O)	N(CNO)(H)2	N(CNO)2(H)	117.3490	1.715	4	117.3490	2.943	4	117.3490	2.943	4	117.5324	2.375	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	3:1:1:	N-3:N-3:O-1:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(CNO)(NC)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(CNO)(NC)(H)	N(CNO)(H)2	116.8951	1.316	62	116.8951	1.731	62	116.8951	1.731	62	117.0954	1.008	200	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	3:1:1:	N-3:N-3:O-1:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)(H)2	C(NHH)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)(H)2	116.9843	0.611	3	116.9843	0.374	3	116.9843	0.374	3	117.0954	1.008	200	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	3:1:1:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(CNS)(NC)(H)	N(CNS)(H)2	117.1809	0.819	134	117.1809	0.670	134	117.1809	0.670	134	117.0954	1.008	200	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	3:1:1:	N-3:N-3:Se-1:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(Se)	N(CSeN)(NC)(H)	N(CSeN)(H)2	C(NHH)(NHN)(Se)	N(CSeN)(NC)(H)	N(CSeN)(H)2	118.3740	0.000	1	118.3740	0.000	1	118.3740	0.000	1	117.0954	1.008	200	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	3:2:1:	N-3:N-3:O-1:	C-3:N-2:H-1:	C-3:N-2:H-1:	C(NHN)2(O)	N(CNO)(NC)(H)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CNO)(NC)(H)	N(CNO)(NC)(H)	113.6384	1.932	27	113.6384	3.731	27	113.6384	3.731	27	113.7969	3.476	39	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	3:2:1:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:N-2:H-1:	C(NHN)2(S)	N(CNS)(NC)(H)	N(CNS)(NC)(H)	C(NHN)2(S)	N(CNS)(NC)(H)	N(CNS)(NC)(H)	114.1535	1.729	12	114.1535	2.989	12	114.1535	2.989	12	113.7969	3.476	39	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	3:3:2:	N-3:N-3:O-1:	C-3:O-2:H-1:	C-3:C-3:O-2:	C(NCO)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)2(OC)	C(NCO)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)2(OC)	113.8090	1.153	2	113.8090	1.328	2	113.8090	1.328	2	113.8090	1.328	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:2:1:	4:4:3:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-4:C-4:C-3:	C(NCC)(NHN)(S)	N(CNS)(NC)(H)	N(CH3)2(CNS)	C(NCC)(NHN)(S)	N(CNS)(NC)(H)	N(CH3)2(CNS)	113.7211	0.941	7	113.7211	0.885	7	113.7211	0.885	7	113.7211	0.885	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	2:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[5,6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[5,6])(CNS)(H)	113.9650	0.000	1	113.9650	0.000	1	113.5583	0.750	20	113.5583	0.750	20	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	2:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[5])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[5])(CNS)(H)	113.5339	0.910	18	113.5339	0.828	18	113.5583	0.750	20	113.5583	0.750	20	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	2:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6])(CNS)(H)	113.5890	0.000	1	113.5890	0.000	1	113.5583	0.750	20	113.5583	0.750	20	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CCO)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CCO)(CNO)(H)	N(CNO)(H)2	118.0257	0.846	7	118.0257	0.715	7	115.2619	3.716	28	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CC[6a]O)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CC[6a]O)(CNO)(H)	N(CNO)(H)2	116.6430	0.000	1	116.6430	0.000	1	115.2619	3.716	28	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CNN)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CNN)(CNO)(H)	N(CNO)(H)2	114.2255	1.004	20	114.2255	1.009	20	115.2619	3.716	28	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(CNO)(NCH)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(CNO)(NCH)(H)	N(CNO)(H)2	115.0098	0.754	5	115.0098	0.568	5	116.0515	6.966	6	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(CNO)(NOO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(CNO)(NOO)(H)	N(CNO)(H)2	121.2600	0.000	1	121.2600	0.000	1	116.0515	6.966	6	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NHH)(O)	N(C[5]N[5]S[5])(CNO)(H)	N(CNO)(H)2	C(NC[5]H)(NHH)(O)	N(C[5]N[5]S[5])(CNO)(H)	N(CNO)(H)2	114.2800	0.000	1	114.2800	0.000	1	114.2800	0.000	1	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6]H)(NHH)(O)	N(C[6]C[6]N[6])(CNO)(H)	N(CNO)(H)2	C(NC[6]H)(NHH)(O)	N(C[6]C[6]N[6])(CNO)(H)	N(CNO)(H)2	115.2415	2.267	4	115.2415	5.138	4	115.2415	5.138	4	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CNO)(H)2	114.0280	0.000	1	114.0280	0.000	1	115.7234	0.629	40	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(H)2	115.6971	0.623	38	115.6971	0.388	38	115.7234	0.629	40	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CNO)(H)2	118.4170	0.000	1	118.4170	0.000	1	115.7234	0.629	40	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NC[6a]H)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NC[6a]H)(CNO)(H)	N(CNO)(H)2	117.1810	0.612	2	117.1810	0.375	2	117.1810	0.375	2	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NN[5]H)(NHH)(O)	N(N[5]C[5]2)(CNO)(H)	N(CNO)(H)2	C(NN[5]H)(NHH)(O)	N(N[5]C[5]2)(CNO)(H)	N(CNO)(H)2	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(S)	N(CCO)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(S)	N(CCO)(CNS)(H)	N(CNS)(H)2	117.2535	0.114	2	117.2535	0.013	2	114.1607	6.081	29	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(S)	N(CC[6a]O)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(S)	N(CC[6a]O)(CNS)(H)	N(CNS)(H)2	117.8073	0.423	3	117.8073	0.179	3	114.1607	6.081	29	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(S)	N(CNN)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(S)	N(CNN)(CNS)(H)	N(CNS)(H)2	112.5593	0.452	20	112.5593	0.205	20	114.1607	6.081	29	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(S)	N(CNO)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(S)	N(CNO)(CNS)(H)	N(CNS)(H)2	117.7195	0.036	2	117.7195	0.001	2	114.1607	6.081	29	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(S)	N(CNS)(COO)(H)	N(CNS)(H)2	C(NCH)(NHH)(S)	N(CNS)(COO)(H)	N(CNS)(H)2	118.0535	0.241	2	118.0535	0.058	2	114.1607	6.081	29	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(H)2	118.1848	0.874	18	118.1848	0.764	18	118.1848	0.764	18	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NHH)(S)	N(C[5]N[5]2)(CNS)(H)	N(CNS)(H)2	C(NC[5]H)(NHH)(S)	N(C[5]N[5]2)(CNS)(H)	N(CNS)(H)2	113.0340	0.000	1	113.0340	0.000	1	113.0340	0.000	1	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	117.9234	1.261	14	117.9234	1.589	14	118.0859	1.428	17	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CNS)(H)2	118.7610	0.215	2	118.7610	0.046	2	118.0859	1.428	17	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CNS)(H)2	119.0100	0.000	1	119.0100	0.000	1	118.0859	1.428	17	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	N[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NN[5]H)(NHH)(S)	N(N[5]C[5]2)(CNS)(H)	N(CNS)(H)2	C(NN[5]H)(NHH)(S)	N(N[5]C[5]2)(CNS)(H)	N(CNS)(H)2	116.9980	0.000	1	116.9980	0.000	1	116.9980	0.000	1	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	N[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(NN[6]H)(NHH)(S)	N(N[6]C[6]2)(CNS)(H)	N(CNS)(H)2	C(NN[6]H)(NHH)(S)	N(N[6]C[6]2)(CNS)(H)	N(CNS)(H)2	118.6605	0.196	2	118.6605	0.038	2	118.6605	0.038	2	115.9310	4.638	150	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:N-2:H-1:	C(NHN)2(O)	N(CNO)(NHH)(H)	N(CNO)(NC)(H)	C(NHN)2(O)	N(CNO)(NHH)(H)	N(CNO)(NC)(H)	116.9130	0.000	1	116.9130	0.000	1	116.9130	0.000	1	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-2:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(CN)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(CN)(H)	113.3520	0.000	1	113.3520	0.000	1	113.3520	0.000	1	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NC)(H)	114.4067	1.480	27	114.4067	2.191	27	114.4067	2.191	27	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:O-2:H-1:	C(NC[6a]H)(NHO)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(OH)(H)	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:N-2:H-1:	C(NHN)2(S)	N(CNS)(NHH)(H)	N(CNS)(NC)(H)	C(NHN)2(S)	N(CNS)(NHH)(H)	N(CNS)(NC)(H)	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CNS)(NC)(H)	114.2900	1.680	5	114.2900	2.823	5	114.6860	1.625	72	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NC)(H)	114.6662	1.193	66	114.6662	1.424	66	114.6860	1.625	72	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CNS)(NH)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CNS)(NH)(H)	117.9680	0.000	1	117.9680	0.000	1	114.6860	1.625	72	114.6456	1.821	103	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(H)	N(C[6a]C[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CHN)(H)	C(NC[6a]H)2(H)	N(C[6a]C[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CHN)(H)	124.6336	1.681	5	124.6336	2.825	5	124.6336	2.825	5	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CCH)(CNO)(H)	N(CNO)2(H)	C(NCH)2(O)	N(CCH)(CNO)(H)	N(CNO)2(H)	117.2010	0.000	1	117.2010	0.000	1	115.5990	0.595	7	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CCO)(CNO)(H)	N(CNO)2(H)	C(NCH)2(O)	N(CCO)(CNO)(H)	N(CNO)2(H)	115.1780	0.307	4	115.1780	0.094	4	115.5990	0.595	7	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CC[6a]O)(CNO)(H)	N(CNO)(CNS)(H)	C(NCH)2(O)	N(CC[6a]O)(CNO)(H)	N(CNO)(CNS)(H)	115.6400	0.102	2	115.6400	0.010	2	115.5990	0.595	7	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(CC[3x4,3x6]O)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(CC[3x4,3x6]O)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C(NCH)(NHN)(O)	N(CNO)(NOO)(H)	N(CNO)2(H)	C(NCH)(NHN)(O)	N(CNO)(NOO)(H)	N(CNO)2(H)	117.0930	0.000	1	117.0930	0.000	1	117.0930	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(NHN)2(O)	N(CNO)(NCH)(H)	N(CNO)(NHH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	N(CNO)(NHH)(H)	117.2500	0.088	2	117.2500	0.008	2	114.5977	21.108	3	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(NHN)2(O)	N(CNO)(NOO)(H)	N(CNO)(NOO)(H)	C(NHN)2(O)	N(CNO)(NOO)(H)	N(CNO)(NOO)(H)	109.2930	0.000	1	109.2930	0.000	1	114.5977	21.108	3	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5]H)(NCH)(O)	N(C[5]N[5]S[5])(CNO)(H)	N(CCO)(CNO)(H)	C(NC[5]H)(NCH)(O)	N(C[5]N[5]S[5])(CNO)(H)	N(CCO)(CNO)(H)	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	N(C[5]C[5]N[5])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	N(C[5]C[5]N[5])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.7690	1.174	6	112.7690	1.378	6	112.7690	1.378	6	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(CC[6a]O)(CNO)(H)	C(NC[5a]H)(NCH)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(CC[6a]O)(CNO)(H)	115.9230	0.397	4	115.9230	0.158	4	115.9230	0.158	4	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]C[5a]N[5a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]C[5a]N[5a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.9351	1.291	9	112.9351	1.666	9	112.9005	2.594	21	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]C[5a]S[5a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]C[5a]S[5a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.2595	0.094	2	112.2595	0.009	2	112.9005	2.594	21	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]N[5a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]N[5a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	113.4252	2.006	6	113.4252	4.023	6	112.9005	2.594	21	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.3560	2.218	4	112.3560	4.918	4	112.9005	2.594	21	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)2(O)	N(C[6]C[6]2)(CNO)(H)	N(C[6]C[6]2)(CNO)(H)	C(NC[6]H)2(O)	N(C[6]C[6]2)(CNO)(H)	N(C[6]C[6]2)(CNO)(H)	112.1131	1.341	7	112.1131	1.798	7	112.1131	1.798	7	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]N[6])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]N[6])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	111.5180	0.000	1	111.5180	0.000	1	111.5180	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCH)(CNO)(H)	111.9760	0.000	1	111.9760	0.000	1	114.5706	4.550	30	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCO)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCO)(CNO)(H)	116.0540	1.301	3	116.0540	1.692	3	114.5706	4.550	30	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]N)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]N)(CNO)(H)	115.6635	0.137	4	115.6635	0.019	4	114.5706	4.550	30	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]O)(CNO)(H)	114.7903	2.034	16	114.7903	4.137	16	114.5706	4.550	30	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNN)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNN)(CNO)(H)	110.6350	0.000	1	110.6350	0.000	1	114.5706	4.550	30	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)2(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)2(H)	112.9800	2.686	4	112.9800	7.216	4	114.5706	4.550	30	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CC[6a]O)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CC[6a]O)(CNO)(H)	115.1270	0.000	1	115.1270	0.000	1	114.5706	4.550	30	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NCH)(H)	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NCH)(H)	112.9487	1.024	7	112.9487	1.048	7	113.3327	1.379	9	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NHH)(H)	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NHH)(H)	114.6765	0.310	2	114.6765	0.096	2	113.3327	1.379	9	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[5]N[5]S[5])(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[5]N[5]S[5])(CNO)(H)	112.3265	0.125	2	112.3265	0.016	2	112.3265	0.016	2	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[5a]N[5a]S[5a])(CNO)(H)	C(NC[5a]H)(NC[6a]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[5a]N[5a]S[5a])(CNO)(H)	113.9940	1.723	3	113.9940	2.970	3	113.9940	2.970	3	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6]C[6]2)(CNO)(H)	113.1536	1.038	16	113.1536	1.078	16	112.5312	1.061	48	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6]C[6]2)(CNO)(H)	112.1646	0.914	29	112.1646	0.836	29	112.5312	1.061	48	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6]N[6]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6]N[6]2)(CNO)(H)	112.7570	0.187	3	112.7570	0.035	3	112.5312	1.061	48	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	111.5256	1.285	8	111.5256	1.652	8	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	114.9805	0.459	2	114.9805	0.211	2	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	115.7243	0.458	3	115.7243	0.209	3	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	117.0470	0.000	1	117.0470	0.000	1	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	113.0178	0.809	6	113.0178	0.654	6	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	115.1380	0.000	1	115.1380	0.000	1	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.6350	0.890	13	112.6350	0.792	13	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	116.3080	0.441	2	116.3080	0.195	2	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.3121	1.617	272	112.3121	2.614	272	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]N[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]N[6a]2)(CNO)(H)	114.6865	2.553	2	114.6865	6.520	2	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	116.0169	0.512	7	116.0169	0.262	7	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(C[6a]C[6a]N[6a])(CNO)(H)	115.9040	0.000	1	115.9040	0.000	1	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]N[5a,6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	115.6470	0.593	2	115.6470	0.351	2	112.5440	3.098	320	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	N[6]-3:C-3:H-1:	C(NC[6a]H)(NN[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(N[6]C[6]2)(CNO)(H)	C(NC[6a]H)(NN[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(N[6]C[6]2)(CNO)(H)	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(NHN)2(O)	N(NC[6a]H)(CNO)(H)	N(NC[6a]H)(CNO)(H)	C(NHN)2(O)	N(NC[6a]H)(CNO)(H)	N(NC[6a]H)(CNO)(H)	115.7034	0.807	5	115.7034	0.651	5	115.7034	0.651	5	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	N[5]-3:C-3:H-1:	N[5]-3:C-3:H-1:	C(NN[5]H)2(O)	N(N[5]C[5]2)(CNO)(H)	N(N[5]C[5]2)(CNO)(H)	C(NN[5]H)2(O)	N(N[5]C[5]2)(CNO)(H)	N(N[5]C[5]2)(CNO)(H)	113.3873	0.923	3	113.3873	0.852	3	113.3873	0.852	3	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CCO)(CNS)(H)	N(CNO)(CNS)(H)	C(NCH)2(S)	N(CCO)(CNS)(H)	N(CNO)(CNS)(H)	114.6675	0.032	2	114.6675	0.001	2	114.1683	0.464	4	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CNO)(CNS)(H)	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CNO)(CNS)(H)	114.1120	0.000	1	114.1120	0.000	1	114.1683	0.464	4	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CNS)(COO)(H)	N(CNS)(COO)(H)	C(NCH)2(S)	N(CNS)(COO)(H)	N(CNS)(COO)(H)	113.2260	0.000	1	113.2260	0.000	1	114.1683	0.464	4	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(S)	N(CC[5a]O)(CNS)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CC[5a]O)(CNS)(H)	N(CNS)(NCH)(H)	115.1220	0.000	1	115.1220	0.000	1	115.4675	0.228	15	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(S)	N(CC[6a]O)(CNS)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CC[6a]O)(CNS)(H)	N(CNS)(NCH)(H)	115.4252	0.433	13	115.4252	0.188	13	115.4675	0.228	15	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(S)	N(CNS)(COO)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CNS)(COO)(H)	N(CNS)(NCH)(H)	116.3630	0.000	1	116.3630	0.000	1	115.4675	0.228	15	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(S)	N(C[5]N[5]S[5])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	N(C[5]N[5]S[5])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	110.7189	0.550	15	110.7189	0.302	15	110.7189	0.302	15	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	N(CCO)(CNS)(H)	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	N(CCO)(CNS)(H)	113.6290	0.000	1	113.6290	0.000	1	114.5736	0.393	13	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	113.5740	0.113	2	113.5740	0.013	2	114.5736	0.393	13	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	N(CNS)(COO)(H)	C(NC[5a]H)(NCH)(S)	N(C[5a]C[5a]N[5a])(CNS)(H)	N(CNS)(COO)(H)	114.6960	0.000	1	114.6960	0.000	1	114.5736	0.393	13	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]2)(CNS)(H)	N(CNS)(COO)(H)	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]2)(CNS)(H)	N(CNS)(COO)(H)	114.7535	0.028	2	114.7535	0.001	2	114.5736	0.393	13	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	114.7590	0.163	2	114.7590	0.026	2	114.5736	0.393	13	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[5a]H)(NCH)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	114.9918	0.437	5	114.9918	0.191	5	114.5736	0.393	13	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]C[5a]S[5a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]C[5a]S[5a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	114.2380	0.000	1	114.2380	0.000	1	115.2677	0.922	6	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	N(C[5a]N[5a]S[5a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	115.4736	0.913	5	115.4736	0.834	5	115.2677	0.922	6	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]N[6])(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]N[6])(CNS)(H)	N(CC[6a]O)(CNS)(H)	116.3160	0.699	2	116.3160	0.488	2	116.3160	0.488	2	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)2(S)	N(C[6]C[6]2)(CNS)(H)	N(C[6]C[6]2)(CNS)(H)	C(NC[6]H)2(S)	N(C[6]C[6]2)(CNS)(H)	N(C[6]C[6]2)(CNS)(H)	113.9280	0.000	1	113.9280	0.000	1	113.9280	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]N[6])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]N[6])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	110.9860	1.796	2	110.9860	3.226	2	110.9860	3.226	2	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5]O)(CNS)(H)	114.9005	0.680	2	114.9005	0.462	2	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	116.8790	0.000	1	116.8790	0.000	1	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	115.6803	0.562	4	115.6803	0.316	4	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCH)(CNS)(H)	115.1650	0.000	1	115.1650	0.000	1	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCO)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCO)(CNS)(H)	115.7224	1.281	61	115.7224	1.641	61	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[3x6]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[3x6]O)(CNS)(H)	117.7565	0.029	2	117.7565	0.001	2	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	114.5417	0.638	11	114.5417	0.407	11	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6]O)(CNS)(H)	115.7820	0.000	1	115.7820	0.000	1	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]N)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]N)(CNS)(H)	115.8265	0.764	2	115.8265	0.584	2	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	115.3933	0.973	130	115.3933	0.947	130	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(COO)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(COO)(H)	116.2314	1.142	37	116.2314	1.305	37	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CCO)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CCO)(CNS)(H)	113.7685	0.078	2	113.7685	0.006	2	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[3]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[3]O)(CNS)(H)	114.0025	0.441	2	114.0025	0.194	2	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	114.7400	0.403	3	114.7400	0.162	3	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	114.8840	0.755	11	114.8840	0.571	11	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CCO)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CCO)(CNS)(H)	114.1763	1.518	3	114.1763	2.305	3	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	114.2810	0.000	1	114.2810	0.000	1	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	114.6773	0.537	3	114.6773	0.288	3	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CNS)(COO)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]N[6a]2)(CNS)(H)	N(CNS)(COO)(H)	114.5880	0.000	1	114.5880	0.000	1	115.4933	1.295	278	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NCH)(H)	115.3556	2.336	13	115.3556	5.459	13	115.5626	3.747	19	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NHH)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NHH)(H)	116.0112	0.190	6	116.0112	0.036	6	115.5626	3.747	19	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[3]-3:C-3:H-1:	C(NC[6a]H)(NC[3]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[3]C[3]2)(CNS)(H)	C(NC[6a]H)(NC[3]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[3]C[3]2)(CNS)(H)	112.1860	0.000	1	112.1860	0.000	1	112.1860	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(C[5a]N[5a]S[5a])(CNS)(H)	C(NC[5a]H)(NC[6a]H)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(C[5a]N[5a]S[5a])(CNS)(H)	116.2332	0.844	4	116.2332	0.713	4	116.2332	0.713	4	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6]C[6]2)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6]C[6]2)(CNS)(H)	116.5850	0.000	1	116.5850	0.000	1	116.5850	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	110.1010	0.000	1	110.1010	0.000	1	113.9227	7.841	58	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	113.7728	2.746	53	113.7728	7.542	53	113.9227	7.841	58	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	117.4207	0.565	3	117.4207	0.319	3	113.9227	7.841	58	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	C(NC[6a]H)2(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(C[6a]C[6a]N[6a])(CNS)(H)	115.1970	0.000	1	115.1970	0.000	1	113.9227	7.841	58	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6a]H)(CNS)(H)	116.7295	0.358	4	116.7295	0.128	4	116.7295	0.128	4	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(NN[5]H)(NCH)(S)	N(N[5]C[5,6]C[5])(CNS)(H)	N(CC[5]O)(CNS)(H)	C(NN[5]H)(NCH)(S)	N(N[5]C[5,6]C[5])(CNS)(H)	N(CC[5]O)(CNS)(H)	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:Se-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(Se)	N(C[6a]C[6a]2)(CSeN)(H)	N(CC[6a]O)(CSeN)(H)	C(NC[6a]H)(NCH)(Se)	N(C[6a]C[6a]2)(CSeN)(H)	N(CC[6a]O)(CSeN)(H)	117.9480	0.000	1	117.9480	0.000	1	117.9480	0.000	1	113.9579	5.199	903	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)2	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)2	114.9040	0.704	5	114.9040	0.495	5	115.1245	0.688	6	115.0977	0.578	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)2	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)2	116.2270	0.000	1	116.2270	0.000	1	115.1245	0.688	6	115.0977	0.578	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:3:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)2(CNO)	114.9370	0.000	1	114.9370	0.000	1	114.9370	0.000	1	115.0977	0.578	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]O)(CCHH)(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]O)(CCHH)(CNO)	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	115.1190	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(H)	N(C[6a]C[6a]2)(CHN)(H)	N(CC[6a]CH)(CHN)(H)	C(NC[6a]H)(NCH)(H)	N(C[6a]C[6a]2)(CHN)(H)	N(CC[6a]CH)(CHN)(H)	122.8330	0.000	1	122.8330	0.000	1	122.8330	0.000	1	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCO)(CNO)(H)	N(CH3)(CNO)(H)	C(NCH)2(O)	N(CCO)(CNO)(H)	N(CH3)(CNO)(H)	117.9290	0.348	2	117.9290	0.121	2	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[5]O)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CC[5]O)(CNO)(H)	N(CCCH)(CNO)(H)	116.8742	0.536	6	116.8742	0.287	6	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[5]O)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CC[5]O)(CNO)(H)	N(CCHH)(CNO)(H)	117.0570	0.000	1	117.0570	0.000	1	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[5a]O)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CC[5a]O)(CNO)(H)	N(CCCH)(CNO)(H)	117.7090	0.035	2	117.7090	0.001	2	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]C)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]C)(CNO)(H)	N(CCCH)(CNO)(H)	122.6770	0.000	1	122.6770	0.000	1	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]C)(CNO)(H)	N(CCHO)(CNO)(H)	C(NCH)2(O)	N(CC[6a]C)(CNO)(H)	N(CCHO)(CNO)(H)	122.4900	0.000	1	122.4900	0.000	1	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]O)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]O)(CNO)(H)	N(CCHH)(CNO)(H)	116.6227	0.827	8	116.6227	0.684	8	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]S)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]S)(CNO)(H)	N(CCHH)(CNO)(H)	118.2430	0.000	1	118.2430	0.000	1	117.5441	3.225	22	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N-4:C-3:H-1:	C(NHN)2(O)	N(CNO)(NCH)(H)	N(NH3)(CNO)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	N(NH3)(CNO)(H)	117.0700	0.000	1	117.0700	0.000	1	115.3603	3.207	3	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	N-4:C-3:H-1:	C(NHN)2(O)	N(CNO)(NHH)(H)	N(NH3)(CNO)(H)	C(NHN)2(O)	N(CNO)(NHH)(H)	N(NH3)(CNO)(H)	114.5055	1.425	2	114.5055	2.030	2	115.3603	3.207	3	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[4a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[4a]H)(NCH)(O)	N(C[4a]C[4a]2)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[4a]H)(NCH)(O)	N(C[4a]C[4a]2)(CNO)(H)	N(CCHH)(CNO)(H)	112.8250	0.000	1	112.8250	0.000	1	112.8250	0.000	1	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[5]H)(NCH)(O)	N(C[5]C[5,6a]N[5])(CNO)(H)	N(CH3)(CNO)(H)	C(NC[5]H)(NCH)(O)	N(C[5]C[5,6a]N[5])(CNO)(H)	N(CH3)(CNO)(H)	112.4720	0.000	1	112.4720	0.000	1	112.4720	0.000	1	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[5a]H)(NCH)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(CCHH)(CNO)(H)	114.7360	0.079	2	114.7360	0.006	2	114.1323	1.096	3	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[5a]H)(NCH)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(CC[6a]HH)(CNO)(H)	C(NC[5a]H)(NCH)(O)	N(C[5a]N[5a]S[5a])(CNO)(H)	N(CC[6a]HH)(CNO)(H)	112.9250	0.000	1	112.9250	0.000	1	114.1323	1.096	3	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2)(CNO)(H)	N(CCHH)(CNO)(H)	114.5410	4.583	2	114.5410	21.008	2	114.2573	10.745	3	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	N(C[6]N[6]2)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6]H)(NCH)(O)	N(C[6]N[6]2)(CNO)(H)	N(CCHH)(CNO)(H)	113.6900	0.000	1	113.6900	0.000	1	114.2573	10.745	3	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(CCHH)(CNO)(H)	113.2140	0.000	1	113.2140	0.000	1	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CNO)(H)	112.6090	0.000	1	112.6090	0.000	1	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	113.8423	1.002	9	113.8423	1.004	9	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)(CNO)(H)	113.6552	1.142	148	113.6552	1.304	148	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[5]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[5]HH)(CNO)(H)	112.9870	0.786	7	112.9870	0.618	7	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6]HH)(CNO)(H)	112.9295	0.910	13	112.9295	0.827	13	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]CC)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]CC)(CNO)(H)	113.5680	0.000	1	113.5680	0.000	1	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]CH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]CH)(CNO)(H)	113.9455	0.008	2	113.9455	0.000	2	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	113.6953	1.003	8	113.6953	1.005	8	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)(CNO)(H)	114.8567	0.997	6	114.8567	0.994	6	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CHHS)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CHHS)(CNO)(H)	112.8830	0.612	4	112.8830	0.374	4	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CC3)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CC3)(CNO)(H)	116.9010	0.000	1	116.9010	0.000	1	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CCHH)(CNO)(H)	116.6886	2.796	5	116.6886	7.817	5	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	114.5510	0.000	1	114.5510	0.000	1	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CCHH)(CNO)(H)	119.0890	1.213	2	119.0890	1.472	2	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CC[6a]CC)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CC[6a]CC)(CNO)(H)	113.6093	0.662	6	113.6093	0.438	6	113.7525	1.863	215	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[5]C[5]2H)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[5]C[5]2H)(CNO)(H)	113.9340	0.000	1	113.9340	0.000	1	113.9340	0.000	1	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6]C[6]2H)(CNO)(H)	113.0947	1.197	13	113.0947	1.432	13	113.0947	1.432	13	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SCOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SCOO)(CNO)(H)	116.0300	0.000	1	116.0300	0.000	1	115.2026	1.474	21	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SC[5a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SC[5a]OO)(CNO)(H)	116.0052	0.396	4	116.0052	0.157	4	115.2026	1.474	21	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	114.9603	1.329	15	114.9603	1.765	15	115.2026	1.474	21	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SNOO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SNOO)(CNO)(H)	114.8000	0.000	1	114.8000	0.000	1	115.2026	1.474	21	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	N[5]-3:C-3:H-1:	S-4:C-3:H-1:	C(NN[5]H)(NHS)(O)	N(N[5]C[5]2)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	C(NN[5]H)(NHS)(O)	N(N[5]C[5]2)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	114.5680	0.584	3	114.5680	0.341	3	114.5680	0.341	3	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[5]O)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(S)	N(CC[5]O)(CNS)(H)	N(CCHH)(CNS)(H)	116.5160	0.000	1	116.5160	0.000	1	116.5020	2.581	35	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CCCH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CCCH)(CNS)(H)	117.0032	0.581	9	117.0032	0.337	9	116.5020	2.581	35	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CNS)(H)	116.3210	1.848	25	116.3210	3.415	25	116.5020	2.581	35	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	N(CCHH)(CNS)(H)	118.5330	0.000	1	118.5330	0.000	1	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5]HH)(CNS)(H)	117.7740	0.000	1	117.7740	0.000	1	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[6a]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[6a]HH)(CNS)(H)	114.2775	3.120	2	114.2775	9.737	2	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC3)(CNS)(H)	115.9910	0.000	1	115.9910	0.000	1	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCCH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCCH)(CNS)(H)	114.4122	3.395	6	114.4122	11.528	6	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)(CNS)(H)	114.8611	2.287	63	114.8611	5.229	63	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHP)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHP)(CNS)(H)	112.3648	0.089	4	112.3648	0.008	4	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5]CH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5]CH)(CNS)(H)	115.8816	2.528	5	115.8816	6.393	5	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5]HH)(CNS)(H)	113.3977	3.148	3	113.3977	9.912	3	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6]HH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6]HH)(CNS)(H)	114.0670	3.461	2	114.0670	11.976	2	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	111.0080	0.000	1	111.0080	0.000	1	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CH3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CH3)(CNS)(H)	116.7433	2.785	4	116.7433	7.755	4	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC3)(CNS)(H)	116.4580	0.000	1	116.4580	0.000	1	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CCHH)(CNS)(H)	112.3257	4.462	3	112.3257	19.911	3	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CH3)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CH3)(CNS)(H)	118.1945	0.080	2	118.1945	0.006	2	114.8341	6.613	99	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(NC[6a]H)(NC[5]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[5]C[5]2H)(CNS)(H)	C(NC[6a]H)(NC[5]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[5]C[5]2H)(CNS)(H)	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6]C[6]2H)(CNS)(H)	115.7598	2.380	12	115.7598	5.662	12	115.7598	5.662	12	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	P-4:C-3:H-1:	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(POOS)(CNS)(H)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(POOS)(CNS)(H)	115.3109	1.994	7	115.3109	3.975	7	115.9141	2.287	14	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	P-4:C-3:H-1:	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(POOS)(CNS)(H)	C(NC[6a]H)(NHP)(S)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(POOS)(CNS)(H)	116.5173	0.363	7	116.5173	0.132	7	115.9141	2.287	14	114.5966	4.501	448	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:2:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:N-2:	C(NC[6a]H)(NCN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)(CNO)(NO)	C(NC[6a]H)(NCN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)(CNO)(NO)	114.8835	0.795	2	114.8835	0.633	2	114.8835	0.633	2	114.8835	0.633	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)(CCH)(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)(CCH)(CNO)	114.4640	0.000	1	114.4640	0.000	1	116.0677	0.716	6	115.9953	0.633	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6]HH)(CCO)(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CC[6]HH)(CCO)(CNO)	116.5258	0.196	4	116.5258	0.038	4	116.0677	0.716	6	115.9953	0.633	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)(CNO)2	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)(CNO)2	115.8390	0.000	1	115.8390	0.000	1	116.0677	0.716	6	115.9953	0.633	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:3:3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CH3)(CHH)(CNS)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CH3)(CHH)(CNS)	115.5610	0.000	1	115.5610	0.000	1	115.5610	0.000	1	115.9953	0.633	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(H)	N(C[6a]C[6a]2)(CHN)(H)	N(CH3)2(CHN)	C(NC[6a]H)(NCC)(H)	N(C[6a]C[6a]2)(CHN)(H)	N(CH3)2(CHN)	125.1250	0.000	1	125.1250	0.000	1	125.1250	0.000	1	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	N(CC[5]O)(CNO)(H)	N(CCHH)2(CNO)	C(NCC)(NCH)(O)	N(CC[5]O)(CNO)(H)	N(CCHH)2(CNO)	114.5120	0.000	1	114.5120	0.000	1	118.0048	3.620	6	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	N(CC[6a]C)(CNO)(H)	N(CCHH)2(CNO)	C(NCC)(NCH)(O)	N(CC[6a]C)(CNO)(H)	N(CCHH)2(CNO)	118.5880	0.105	2	118.5880	0.011	2	118.0048	3.620	6	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	N(CC[6a]O)(CNO)(H)	N(CCHH)2(CNO)	C(NCC)(NCH)(O)	N(CC[6a]O)(CNO)(H)	N(CCHH)2(CNO)	118.7803	1.304	3	118.7803	1.701	3	118.0048	3.620	6	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[5a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[5a]H)(NCC)(O)	N(C[5a]C[5a]S[5a])(CNO)(H)	N(CCHH)2(CNO)	C(NC[5a]H)(NCC)(O)	N(C[5a]C[5a]S[5a])(CNO)(H)	N(CCHH)2(CNO)	116.7595	0.524	2	116.7595	0.275	2	116.7595	0.275	2	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CC[5a]HH)2(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CC[5a]HH)2(CNO)	117.4385	0.278	2	117.4385	0.077	2	116.1974	1.280	16	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CH3)2(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CH3)2(CNO)	114.9310	0.000	1	114.9310	0.000	1	116.1974	1.280	16	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)2(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)2(CNO)	117.0525	0.547	4	117.0525	0.299	4	116.1974	1.280	16	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)2(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)2(CNO)	116.0560	1.242	4	116.0560	1.542	4	116.1974	1.280	16	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)2(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)2(CNO)	114.8053	0.210	3	114.8053	0.044	3	116.1974	1.280	16	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CH3)2(CNO)	C(NC[6a]H)(NCC)(O)	N(C[6a]C[6a]N[6a])(CNO)(H)	N(CH3)2(CNO)	116.2500	0.024	2	116.2500	0.001	2	116.1974	1.280	16	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	P-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NHP)(O)	N(PC[6a]2)(CNO)(H)	N(CC[6a]HH)2(CNO)	C(NCC)(NHP)(O)	N(PC[6a]2)(CNO)(H)	N(CC[6a]HH)2(CNO)	117.2885	0.650	2	117.2885	0.422	2	117.2885	0.422	2	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	N(CCHH)2(CNS)	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	N(CCHH)2(CNS)	116.0638	2.037	6	116.0638	4.151	6	115.4441	2.477	33	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCCH)2(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCCH)2(CNS)	114.6520	0.221	2	114.6520	0.049	2	115.4441	2.477	33	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CH3)(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CH3)(CNS)	113.5340	0.000	1	113.5340	0.000	1	115.4441	2.477	33	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)2(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)2(CNS)	114.6278	1.126	16	114.6278	1.269	16	115.4441	2.477	33	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CC[6a]HH)2(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CC[6a]HH)2(CNS)	117.0485	0.373	8	117.0485	0.139	8	115.4441	2.477	33	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)(CH3)(CNS)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)(CH3)(CNS)	113.8710	0.000	1	113.8710	0.000	1	114.6670	0.350	10	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)2(CNS)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)2(CNS)	114.6385	0.641	6	114.6385	0.411	6	114.6670	0.350	10	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CH3)2(CNS)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CH3)2(CNS)	114.9893	0.267	3	114.9893	0.072	3	114.6670	0.350	10	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:Se-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(Se)	N(CC[6a]O)(CSeN)(H)	N(CCHH)2(CSeN)	C(NCC)(NCH)(Se)	N(CC[6a]O)(CSeN)(H)	N(CCHH)2(CSeN)	116.5650	1.292	3	116.5650	1.670	3	116.5650	1.670	3	115.9785	3.682	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:1:1:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a]2)(NHH)(O)	N(C[6a]C[6a]2)2(CNO)	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	N(C[6a]C[6a]2)2(CNO)	N(CNO)(H)2	117.1469	0.847	51	117.1469	0.717	51	117.1469	0.717	51	117.1469	0.717	51	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6,6a])(CNO)2	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[5,6a]C[6,6a])(CNO)2	N(C[6a]C[6a]2)(CNO)(H)	115.1020	1.379	2	115.1020	1.901	2	115.5579	0.532	8	115.5595	0.414	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCO)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	115.9913	0.084	3	115.9913	0.007	3	115.5579	0.532	8	115.5595	0.414	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	116.0980	0.000	1	116.0980	0.000	1	115.5579	0.532	8	115.5595	0.414	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(COO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CNO)(COO)	N(C[6a]C[6a]2)(CNO)(H)	115.0935	0.330	2	115.0935	0.109	2	115.5579	0.532	8	115.5595	0.414	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a]2)(NCH)(S)	N(C[6a]C[6a]2)2(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[6a]2)(NCH)(S)	N(C[6a]C[6a]2)2(CNS)	N(CC[6a]O)(CNS)(H)	115.5617	0.574	6	115.5617	0.330	6	115.5617	0.330	6	115.5595	0.414	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:3:3:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	N(C[6a]C[6a]2)(CCO)(CNO)	C(NC[6a]2)(NC[6a]C)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	N(C[6a]C[6a]2)(CCO)(CNO)	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	115.9910	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6a]C)(NC[6]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6a]C)(NC[6]H)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(C[6]C[6]2H)(CNO)(H)	116.4800	0.000	1	116.4800	0.000	1	116.4800	0.000	1	116.0385	0.390	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[6a]2)(NCH)(O)	N(C[6a]C[6a]2)2(CNO)	N(CC3)(CNO)(H)	C(NC[6a]2)(NCH)(O)	N(C[6a]C[6a]2)2(CNO)	N(CC3)(CNO)(H)	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	116.0385	0.390	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	4:3:3:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-3:C-3:	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CNO)2	N(CCCH)(CCH)(CNO)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CNO)2	N(CCCH)(CCH)(CNO)	115.5680	0.000	1	115.5680	0.000	1	115.5680	0.000	1	116.2880	1.037	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	4:3:3:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(NC[6a]2)(NCC)(O)	N(C[6a]C[6a]2)2(CNO)	N(CH3)(CNN)(CNO)	C(NC[6a]2)(NCC)(O)	N(C[6a]C[6a]2)2(CNO)	N(CH3)(CNN)(CNO)	117.0080	0.000	1	117.0080	0.000	1	117.0080	0.000	1	116.2880	1.037	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	4:4:3:	N-3:N-3:O-1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(NCC)2(O)	N(CC[6a]O)2(CNO)	N(CH3)2(CNO)	C(NCC)2(O)	N(CC[6a]O)2(CNO)	N(CH3)2(CNO)	114.3590	0.000	1	114.3590	0.000	1	114.3590	0.000	1	114.7335	0.281	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:3:3:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	N(CC[6a]HH)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CC[3]O)(CNO)	N(CC[6a]HH)(CH3)(CNO)	115.1080	0.000	1	115.1080	0.000	1	115.1080	0.000	1	114.7335	0.281	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:1:	3:4:4:	N-3:N-3:Se-1:	C-3:C-4:H-1:	C-3:C-4:C-4:	C(NCC)(NCH)(Se)	N(CSeN)(CC3)(H)	N(CSeN)(CH3)2	C(NCC)(NCH)(Se)	N(CSeN)(CC3)(H)	N(CSeN)(CH3)2	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:2:1:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:N-2:H-1:	C(NC[6a]C)(NHN)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CNS)(NC)(H)	C(NC[6a]C)(NHN)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CNS)(NC)(H)	114.6160	0.410	2	114.6160	0.168	2	114.6160	0.168	2	114.6160	0.168	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCCH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CCCH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	115.1040	0.000	1	115.1040	0.000	1	115.3824	1.164	5	115.5675	2.123	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	115.1020	1.242	3	115.1020	1.544	3	115.3824	1.164	5	115.5675	2.123	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]N[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]N[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	116.5020	0.000	1	116.5020	0.000	1	115.3824	1.164	5	115.5675	2.123	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	N(CC[5]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CC[6a]HH)(CNS)	N(CC[5]O)(CNS)(H)	112.5180	0.000	1	112.5180	0.000	1	115.7218	3.253	6	115.5675	2.123	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CCO)(CNS)(H)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CCO)(CNS)(H)	116.8000	0.000	1	116.8000	0.000	1	115.7218	3.253	6	115.5675	2.123	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CC[5a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CC[5a]O)(CNS)(H)	115.4795	1.084	2	115.4795	1.175	2	115.7218	3.253	6	115.5675	2.123	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CC[6a]O)(CNS)(H)	117.0270	0.372	2	117.0270	0.138	2	115.7218	3.253	6	115.5675	2.123	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCCH)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCCH)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	127.4070	0.635	2	127.4070	0.403	2	127.6680	3.760	10	119.7077	30.230	33	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CCHH)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	126.4800	2.086	4	126.4800	4.350	4	127.6680	3.760	10	119.7077	30.230	33	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CH3)(CHN)	N(C[6a]C[6a]2)(CH3)(CHN)	C(NC[6a]C)2(H)	N(C[6a]C[6a]2)(CH3)(CHN)	N(C[6a]C[6a]2)(CH3)(CHN)	129.7663	0.419	3	129.7663	0.175	3	127.6680	3.760	10	119.7077	30.230	33	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(H)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	C(NC[6a]C)2(H)	N(C[6a]C[6a]N[6a])(CCHH)(CHN)	N(C[6a]C[6a]2)(CCHH)(CHN)	126.6470	0.000	1	126.6470	0.000	1	127.6680	3.760	10	119.7077	30.230	33	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	N(C[6a]C[6a]2)(CCHH)(CNO)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	N(C[6a]C[6a]2)(CCHH)(CNO)	116.9370	0.282	3	116.9370	0.079	3	116.2467	1.106	23	119.7077	30.230	33	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	116.1431	1.089	20	116.1431	1.186	20	116.2467	1.106	23	119.7077	30.230	33	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	4:3:1:	N-3:N-3:O-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	N(CC[6a]O)(CCCH)(CNO)	N(CC3)(CNO)(H)	C(NCC)(NCH)(O)	N(CC[6a]O)(CCCH)(CNO)	N(CC3)(CNO)(H)	113.6550	0.000	1	113.6550	0.000	1	113.6550	0.000	1	115.7585	3.108	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	4:3:1:	N-3:N-3:O-1:	C[5a]-3:C-4:C-3:	C-4:C-3:H-1:	C(NC[5a]C)(NCH)(O)	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	N(CC[6a]CH)(CNO)(H)	C(NC[5a]C)(NCH)(O)	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	N(CC[6a]CH)(CNO)(H)	114.9830	0.000	1	114.9830	0.000	1	114.9830	0.000	1	115.7585	3.108	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C-4:C-3:H-1:	C(NC[6a]C)(NCH)(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	N(CCHH)(CNO)(H)	C(NC[6a]C)(NCH)(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	N(CCHH)(CNO)(H)	116.9200	0.000	1	116.9200	0.000	1	116.9200	0.000	1	115.7585	3.108	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	4:3:1:	N-3:N-3:O-1:	P-3:C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NCP)(O)	N(PC[6a]2)(CH3)(CNO)	N(CH3)(CNO)(H)	C(NCH)(NCP)(O)	N(PC[6a]2)(CH3)(CNO)	N(CH3)(CNO)(H)	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	115.7585	3.108	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:3:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	N(CCHH)2(CNO)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CC[6a]2H)(CNO)	N(CCHH)2(CNO)	116.9540	0.000	1	116.9540	0.000	1	116.9540	0.000	1	116.9540	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	3:4:4:	3:4:4:	N-3:N-3:Se-1:	C-3:C-4:C-4:	C-3:C-4:C-4:	C(NCC)2(Se)	N(CSeN)(CH3)2	N(CSeN)(CH3)2	C(NCC)2(Se)	N(CSeN)(CH3)2	N(CSeN)(CH3)2	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	116.6370	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	2:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	N-2:C-3:H-1:	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	N(NC[5])(CNS)(H)	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	N(NC[5])(CNS)(H)	115.9235	0.340	2	115.9235	0.116	2	115.8850	0.042	4	115.8850	0.042	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	2:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	N-2:C-3:H-1:	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	N(NC[6])(CNS)(H)	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	N(NC[6])(CNS)(H)	115.8465	0.062	2	115.8465	0.004	2	115.8850	0.042	4	115.8850	0.042	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:H-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(H)	N(CCHH)(CHN)(H)	N(CHN)(H)2	C(NCH)(NHH)(H)	N(CCHH)(CHN)(H)	N(CHN)(H)2	125.0049	0.203	7	125.0049	0.041	7	125.0049	0.041	7	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:N-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(N)	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(N)	N(CCHH)(CNN)(H)	N(CNN)(H)2	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CCCH)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CCCH)(CNO)(H)	N(CNO)(H)2	116.8033	0.366	4	116.8033	0.134	4	117.6363	2.666	42	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CCHH)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CCHH)(CNO)(H)	N(CNO)(H)2	116.8049	0.886	17	116.8049	0.785	17	117.6363	2.666	42	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CC[5]HH)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CC[5]HH)(CNO)(H)	N(CNO)(H)2	115.3980	0.000	1	115.3980	0.000	1	117.6363	2.666	42	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CC[6a]HH)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CC[6a]HH)(CNO)(H)	N(CNO)(H)2	114.4240	0.000	1	114.4240	0.000	1	117.6363	2.666	42	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CC[6a]N[6]H)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CC[6a]N[6]H)(CNO)(H)	N(CNO)(H)2	115.1005	0.347	2	115.1005	0.121	2	117.6363	2.666	42	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CH3)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CH3)(CNO)(H)	N(CNO)(H)2	119.2828	0.682	17	119.2828	0.465	17	117.6363	2.666	42	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NHH)(O)	N(C[5]C[5,5]O[5]C)(CNO)(H)	N(CNO)(H)2	C(NC[5]H)(NHH)(O)	N(C[5]C[5,5]O[5]C)(CNO)(H)	N(CNO)(H)2	117.6460	0.000	1	117.6460	0.000	1	116.4280	2.967	2	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NHH)(O)	N(C[5]C[5]2H)(CNO)(H)	N(CNO)(H)2	C(NC[5]H)(NHH)(O)	N(C[5]C[5]2H)(CNO)(H)	N(CNO)(H)2	115.2100	0.000	1	115.2100	0.000	1	116.4280	2.967	2	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(NC[6]H)(NHH)(O)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	N(CNO)(H)2	C(NC[6]H)(NHH)(O)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	N(CNO)(H)2	117.0710	0.000	1	117.0710	0.000	1	116.0985	1.892	2	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(NC[6]H)(NHH)(O)	N(C[6]C[6]O[6]H)(CNO)(H)	N(CNO)(H)2	C(NC[6]H)(NHH)(O)	N(C[6]C[6]O[6]H)(CNO)(H)	N(CNO)(H)2	115.1260	0.000	1	115.1260	0.000	1	116.0985	1.892	2	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NH3)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NH3)(CNO)(H)	N(CNO)(H)2	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(S)	N(CH3)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(S)	N(CH3)(CNS)(H)	N(CNS)(H)2	117.8911	1.540	7	117.8911	2.372	7	117.8911	2.372	7	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(NC[6]H)(NHH)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(H)2	C(NC[6]H)(NHH)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(H)2	115.5530	0.000	1	115.5530	0.000	1	115.5530	0.000	1	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:S-1:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	N(CNS)(H)2	114.8670	0.559	2	114.8670	0.312	2	114.8670	0.312	2	118.2316	8.094	65	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:O-2:H-1:	C(NCH)(NHO)(O)	N(CCHH)(CNO)(H)	N(CNO)(OC)(H)	C(NCH)(NHO)(O)	N(CCHH)(CNO)(H)	N(CNO)(OC)(H)	117.7070	0.000	1	117.7070	0.000	1	117.6407	0.330	3	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:O-2:H-1:	C(NCH)(NHO)(O)	N(CC[6a]CH)(CNO)(H)	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	N(CC[6a]CH)(CNO)(H)	N(CNO)(OH)(H)	117.0360	0.000	1	117.0360	0.000	1	117.6407	0.330	3	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:O-2:H-1:	C(NCH)(NHO)(O)	N(CH3)(CNO)(H)	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	N(CH3)(CNO)(H)	N(CNO)(OH)(H)	118.1790	0.000	1	118.1790	0.000	1	117.6407	0.330	3	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(S)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	116.2421	0.871	40	116.2421	0.758	40	116.3286	0.747	89	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CC[6a]HH)(CNS)(H)	N(CNS)(NC)(H)	115.8154	0.228	7	115.8154	0.052	7	116.3286	0.747	89	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	116.5192	0.889	41	116.5192	0.790	41	116.3286	0.747	89	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(S)	N(CSiHH)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CSiHH)(CNS)(H)	N(CNS)(NC)(H)	115.5620	0.000	1	115.5620	0.000	1	116.3286	0.747	89	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:N-2:H-1:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CNS)(NC)(H)	116.3186	0.680	11	116.3186	0.462	11	115.9961	1.012	13	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:N-2:H-1:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(NC)(H)	114.2220	0.288	2	114.2220	0.083	2	115.9961	1.012	13	116.3249	0.818	105	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CC3)(CNO)(H)	N(CCO)(CNO)(H)	C(NCH)2(O)	N(CC3)(CNO)(H)	N(CCO)(CNO)(H)	115.0210	0.827	2	115.0210	0.684	2	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CC3)(CNO)(H)	N(CNO)(CNS)(H)	C(NCH)2(O)	N(CC3)(CNO)(H)	N(CNO)(CNS)(H)	117.8105	1.398	2	117.8105	1.954	2	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CCO)(CNO)(H)	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CCO)(CNO)(H)	117.8742	0.398	13	117.8742	0.159	13	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CNO)2(H)	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CNO)2(H)	118.0880	0.669	3	118.0880	0.447	3	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CCHO)(CNO)(H)	N(CCC)(CNO)(H)	C(NCH)2(O)	N(CCHO)(CNO)(H)	N(CCC)(CNO)(H)	122.4740	0.000	1	122.4740	0.000	1	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]O)(CNO)(H)	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]O)(CNO)(H)	117.4500	0.000	1	117.4500	0.000	1	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CC[6a]HN)(CNO)(H)	N(CC[6a]O)(CNO)(H)	C(NCH)2(O)	N(CC[6a]HN)(CNO)(H)	N(CC[6a]O)(CNO)(H)	117.0930	0.000	1	117.0930	0.000	1	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(O)	N(CN[5]CH)(CNO)(H)	N(CCC)(CNO)(H)	C(NCH)2(O)	N(CN[5]CH)(CNO)(H)	N(CCC)(CNO)(H)	122.1390	0.000	1	122.1390	0.000	1	117.9770	2.685	24	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	N(CC3)(CNO)(H)	N(CNO)(NOO)(H)	C(NCH)(NHN)(O)	N(CC3)(CNO)(H)	N(CNO)(NOO)(H)	119.1410	0.000	1	119.1410	0.000	1	115.5332	6.299	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	N(CCHH)(CNO)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CCHH)(CNO)(H)	N(CNO)(NCH)(H)	115.8755	1.183	2	115.8755	1.399	2	115.5332	6.299	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	N(CC[6a]CC)(CNO)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC[6a]CC)(CNO)(H)	N(CNO)(NCH)(H)	113.3870	1.154	2	113.3870	1.332	2	115.5332	6.299	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(NC[5]H)(NCH)(O)	N(C[5]C[5,6a]C[5]H)(CNO)(H)	N(CCO)(CNO)(H)	C(NC[5]H)(NCH)(O)	N(C[5]C[5,6a]C[5]H)(CNO)(H)	N(CCO)(CNO)(H)	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	N(C[5]C[5,6a]C[5]C)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	N(C[5]C[5,6a]C[5]C)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.7950	0.000	1	112.7950	0.000	1	113.5460	1.128	2	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(O)	N(C[5]C[5]2Fe)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]H)(O)	N(C[5]C[5]2Fe)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	114.2970	0.000	1	114.2970	0.000	1	113.5460	1.128	2	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CC[6a]O)(CNO)(H)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CC[6a]O)(CNO)(H)	117.7130	0.379	2	117.7130	0.144	2	117.7130	0.144	2	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[5,6]C[6]H)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[5,6]C[6]H)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	114.0090	0.000	2	114.0090	0.000	2	112.9662	0.977	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6,6]C[6]H)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6,6]C[6]H)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	112.4890	0.000	2	112.4890	0.000	2	112.9662	0.977	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2Cr)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2Cr)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	111.8350	0.000	1	111.8350	0.000	1	112.9662	0.977	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C(NHN)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CNO)(NCC)(H)	C(NHN)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CNO)(NCC)(H)	115.7276	1.891	14	115.7276	3.574	14	115.7276	3.574	14	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CCO)(CNS)(H)	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CCO)(CNS)(H)	116.5422	0.515	5	116.5422	0.265	5	116.6120	0.154	17	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CC[5a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NCH)2(S)	N(CC[5a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	116.4090	0.000	1	116.4090	0.000	1	116.6120	0.154	17	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	116.1880	0.028	2	116.1880	0.001	2	116.6120	0.154	17	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	116.4500	0.037	2	116.4500	0.001	2	116.6120	0.154	17	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	116.8460	0.004	2	116.8460	0.000	2	116.6120	0.154	17	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	116.8632	0.352	5	116.8632	0.124	5	116.6120	0.154	17	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(S)	N(CC3)(CNS)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CC3)(CNS)(H)	N(CNS)(NCH)(H)	119.1340	1.020	2	119.1340	1.040	2	118.0988	1.234	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NCH)(H)	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NCH)(H)	117.8670	0.000	1	117.8670	0.000	1	118.0988	1.234	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NHH)(H)	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NHH)(H)	117.1795	0.090	2	117.1795	0.008	2	118.0988	1.234	5	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(CC[6,6]C[6a]H)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(CC[6,6]C[6a]H)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	112.1960	0.000	1	112.1960	0.000	1	112.1960	0.000	1	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[3x6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[3x6]H)(NC[6a]H)(S)	N(C[3x6]C[6,6]3)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[3x6]H)(NC[6a]H)(S)	N(C[3x6]C[6,6]3)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	115.4130	0.000	1	115.4130	0.000	1	115.4130	0.000	1	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CCO)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CCO)(CNS)(H)	115.5965	0.375	2	115.5965	0.141	2	115.9383	0.158	13	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[5]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[5]O)(CNS)(H)	115.8838	0.435	6	115.8838	0.189	6	115.9383	0.158	13	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[5a]O)(CNS)(H)	116.2000	0.000	1	116.2000	0.000	1	115.9383	0.158	13	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[6a]O)(CNS)(H)	116.1255	0.340	4	116.1255	0.115	4	115.9383	0.158	13	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:N-3:H-1:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CNS)(NCH)(H)	115.5380	3.376	2	115.5380	11.396	2	115.4162	3.911	4	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:N-3:H-1:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(NCH)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(NCH)(H)	114.9220	0.000	1	114.9220	0.000	1	115.4162	3.911	4	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:N-3:H-1:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(NHH)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	N(CNS)(NHH)(H)	115.6670	0.000	1	115.6670	0.000	1	115.4162	3.911	4	116.4047	3.749	94	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:3:2:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:C-3:O-2:	C(NCH)(NCO)(O)	N(CCHH)(CNO)(H)	N(CCO)(CNO)(OC)	C(NCH)(NCO)(O)	N(CCHH)(CNO)(H)	N(CCO)(CNO)(OC)	114.4035	0.023	2	114.4035	0.001	2	114.4035	0.001	2	114.4035	0.001	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	3:4:4:	N-3:N-3:Se-1:	C[6]-4:C-3:H-1:	C-3:C-4:C-4:	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CSeN)(CH3)2	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CSeN)(CH3)2	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CCCH)(CNO)(H)	114.9184	0.517	5	114.9184	0.268	5	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CCHH)(CNO)(H)	114.4746	1.213	12	114.4746	1.472	12	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CHHN)(CNO)(H)	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CHHN)(CNO)(H)	121.0480	0.088	2	121.0480	0.008	2	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CC3)(CNO)(H)	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CC3)(CNO)(H)	115.1923	0.760	3	115.1923	0.577	3	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CCHH)(CNO)(H)	114.8905	1.729	15	114.8905	2.990	15	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CH3)(CNO)(H)	C(NCH)2(O)	N(CCHH)(CNO)(H)	N(CH3)(CNO)(H)	115.8010	1.380	4	115.8010	1.906	4	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCHN)(CNO)(H)	N(CH3)(CNO)(H)	C(NCH)2(O)	N(CCHN)(CNO)(H)	N(CH3)(CNO)(H)	115.4830	0.000	1	115.4830	0.000	1	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[5]CH)(CNO)(H)	N(CC[5]CH)(CNO)(H)	C(NCH)2(O)	N(CC[5]CH)(CNO)(H)	N(CC[5]CH)(CNO)(H)	113.9590	0.000	1	113.9590	0.000	1	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[5]HH)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CC[5]HH)(CNO)(H)	N(CCCH)(CNO)(H)	113.7920	0.000	1	113.7920	0.000	1	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[5]HH)(CNO)(H)	N(CC[5]HH)(CNO)(H)	C(NCH)2(O)	N(CC[5]HH)(CNO)(H)	N(CC[5]HH)(CNO)(H)	115.3790	0.000	1	115.3790	0.000	1	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6]HH)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CC[6]HH)(CNO)(H)	N(CCHH)(CNO)(H)	116.1360	0.000	1	116.1360	0.000	1	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6]HH)(CNO)(H)	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	N(CC[6]HH)(CNO)(H)	N(CC[6]HH)(CNO)(H)	115.2388	1.125	9	115.2388	1.265	9	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]2H)(CNO)(H)	N(CH3)(CNO)(H)	C(NCH)2(O)	N(CC[6a]2H)(CNO)(H)	N(CH3)(CNO)(H)	117.3080	0.000	1	117.3080	0.000	1	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]CH)(CNO)(H)	N(CC3)(CNO)(H)	C(NCH)2(O)	N(CC[6a]CH)(CNO)(H)	N(CC3)(CNO)(H)	115.1970	0.909	2	115.1970	0.827	2	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]CH)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]CH)(CNO)(H)	N(CCHH)(CNO)(H)	115.4601	0.480	20	115.4601	0.230	20	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CCCH)(CNO)(H)	115.0700	0.000	1	115.0700	0.000	1	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CCHH)(CNO)(H)	115.5107	0.381	6	115.5107	0.145	6	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	116.2651	0.999	14	116.2651	0.998	14	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CH3)(CNO)(H)	N(CH3)(CNO)(H)	C(NCH)2(O)	N(CH3)(CNO)(H)	N(CH3)(CNO)(H)	115.9031	0.550	7	115.9031	0.302	7	115.4575	1.886	106	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[3x6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[3x6]H)(NCH)(O)	N(C[3x6]C[6,6]3)(CNO)(H)	N(CCCH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	N(C[3x6]C[6,6]3)(CNO)(H)	N(CCCH)(CNO)(H)	114.6298	1.615	4	114.6298	2.608	4	114.2137	2.457	6	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[3x6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[3x6]H)(NCH)(O)	N(C[3x6]C[6,6]3)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[3x6]H)(NCH)(O)	N(C[3x6]C[6,6]3)(CNO)(H)	N(CCHH)(CNO)(H)	113.3815	1.544	2	113.3815	2.383	2	114.2137	2.457	6	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[6,6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6,6]H)(NCH)(O)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6,6]H)(NCH)(O)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	N(CCHH)(CNO)(H)	114.7040	1.435	6	114.7040	2.061	6	114.7040	2.061	6	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2Cr)(CNO)(H)	N(CH3)(CNO)(H)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2Cr)(CNO)(H)	N(CH3)(CNO)(H)	114.3640	0.000	1	114.3640	0.000	1	114.1915	0.060	2	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CC3)(CNO)(H)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CC3)(CNO)(H)	114.0190	0.000	1	114.0190	0.000	1	114.1915	0.060	2	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)2(O)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	114.8960	0.000	1	114.8960	0.000	1	114.8960	0.000	1	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	S-4:C-3:H-1:	C(NC[6]H)(NHS)(O)	N(C[6]C[6]2H)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	C(NC[6]H)(NHS)(O)	N(C[6]C[6]2H)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	114.5583	1.482	4	114.5583	2.197	4	114.5583	2.197	4	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	N-4:C-3:H-1:	N-4:C-3:H-1:	C(NHN)2(O)	N(NH3)(CNO)(H)	N(NH3)(CNO)(H)	C(NHN)2(O)	N(NH3)(CNO)(H)	N(NH3)(CNO)(H)	112.1827	2.592	3	112.1827	6.719	3	112.1827	6.719	3	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CC3)(CNO)(H)	C(NCH)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CC3)(CNO)(H)	116.1235	2.053	4	116.1235	4.216	4	114.6576	1.232	41	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CCHH)(CNO)(H)	114.4991	0.868	37	114.4991	0.753	37	114.6576	1.232	41	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CCCH)(CNS)(H)	N(CC3)(CNS)(H)	C(NCH)2(S)	N(CCCH)(CNS)(H)	N(CC3)(CNS)(H)	113.3620	0.000	1	113.3620	0.000	1	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CCCH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(S)	N(CCCH)(CNS)(H)	N(CCHH)(CNS)(H)	116.8403	2.272	3	116.8403	5.161	3	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CC3)(CNS)(H)	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CC3)(CNS)(H)	119.7890	0.000	1	119.7890	0.000	1	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	117.0863	0.541	4	117.0863	0.293	4	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(S)	N(CCHH)(CNS)(H)	N(CH3)(CNS)(H)	117.8230	0.000	1	117.8230	0.000	1	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[5]HH)(CNS)(H)	N(CC[5]HH)(CNS)(H)	C(NCH)2(S)	N(CC[5]HH)(CNS)(H)	N(CC[5]HH)(CNS)(H)	114.7750	0.000	1	114.7750	0.000	1	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[5]HH)(CNS)(H)	N(CC[6]HH)(CNS)(H)	C(NCH)2(S)	N(CC[5]HH)(CNS)(H)	N(CC[6]HH)(CNS)(H)	116.9220	0.000	1	116.9220	0.000	1	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6,6]C[6a]H)(CNS)(H)	N(CC[6,6]C[6a]H)(CNS)(H)	C(NCH)2(S)	N(CC[6,6]C[6a]H)(CNS)(H)	N(CC[6,6]C[6a]H)(CNS)(H)	113.7610	0.000	1	113.7610	0.000	1	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	N(CCCH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	N(CCCH)(CNS)(H)	118.1818	0.451	6	118.1818	0.203	6	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	114.6615	0.377	2	114.6615	0.142	2	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CCHH)(CNS)(H)	115.1887	2.119	3	115.1887	4.491	3	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CC[6a]HH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CC[6a]HH)(CNS)(H)	115.5433	1.588	3	115.5433	2.520	3	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(S)	N(CC[6a]HH)(CNS)(H)	N(CH3)(CNS)(H)	116.9435	0.132	2	116.9435	0.017	2	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(S)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	117.7215	2.481	6	117.7215	6.158	6	116.7464	3.848	35	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	P-4:C-3:H-1:	C(NCH)(NHP)(S)	N(CCCH)(CNS)(H)	N(PO3)(CNS)(H)	C(NCH)(NHP)(S)	N(CCCH)(CNS)(H)	N(PO3)(CNS)(H)	116.8830	0.578	2	116.8830	0.335	2	116.9854	0.109	5	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	P-4:C-3:H-1:	C(NCH)(NHP)(S)	N(CCCH)(CNS)(H)	N(POOS)(CNS)(H)	C(NCH)(NHP)(S)	N(CCCH)(CNS)(H)	N(POOS)(CNS)(H)	116.9470	0.000	2	116.9470	0.000	2	116.9854	0.109	5	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	P-4:C-3:H-1:	C(NCH)(NHP)(S)	N(CC[6a]HH)(CNS)(H)	N(POOS)(CNS)(H)	C(NCH)(NHP)(S)	N(CC[6a]HH)(CNS)(H)	N(POOS)(CNS)(H)	117.2670	0.000	1	117.2670	0.000	1	116.9854	0.109	5	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CCCH)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CCCH)(CNS)(H)	114.1740	0.000	1	114.1740	0.000	1	117.0723	7.480	6	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[6a]3)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[6a]3)(CNS)(H)	118.7100	1.282	4	118.7100	1.645	4	117.0723	7.480	6	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CH3)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CH3)(CNS)(H)	113.4200	0.000	1	113.4200	0.000	1	117.0723	7.480	6	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	N-4:C-3:H-1:	N-4:C-3:H-1:	C(NHN)2(S)	N(NH3)(CNS)(H)	N(NH3)(CNS)(H)	C(NHN)2(S)	N(NH3)(CNS)(H)	N(NH3)(CNS)(H)	110.8100	0.000	1	110.8100	0.000	1	110.8100	0.000	1	115.4413	2.993	216	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:2:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:N-2:	C(NCH)(NCN)(O)	N(CCCH)(CNO)(H)	N(CH3)(CNO)(NC)	C(NCH)(NCN)(O)	N(CCCH)(CNO)(H)	N(CH3)(CNO)(NC)	115.5110	0.000	1	115.5110	0.000	1	115.5110	0.000	1	116.5500	2.726	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:2:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:O-2:	C(NCH)(NCO)(O)	N(CCCH)(CNO)(H)	N(CH3)(CNO)(OC)	C(NCH)(NCO)(O)	N(CCCH)(CNO)(H)	N(CH3)(CNO)(OC)	118.4280	0.000	1	118.4280	0.000	1	116.8963	3.369	3	116.5500	2.726	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:2:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:O-2:	C(NCH)(NCO)(O)	N(CSiCH)(CNO)(H)	N(CH3)(CNO)(OC)	C(NCH)(NCO)(O)	N(CSiCH)(CNO)(H)	N(CH3)(CNO)(OC)	116.1305	1.794	2	116.1305	3.218	2	116.8963	3.369	3	116.5500	2.726	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:3:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(NCC)(NCH)(O)	N(CH3)(CNO)(H)	N(CH3)(CNO)2	C(NCC)(NCH)(O)	N(CH3)(CNO)(H)	N(CH3)(CNO)2	116.8810	0.000	1	116.8810	0.000	1	116.8810	0.000	1	116.3508	0.141	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:3:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C-4:C-3:C-3:	C(NC[6]H)(NCC)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CCCH)(CCH)(CNO)	C(NC[6]H)(NCC)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CCCH)(CCH)(CNO)	116.0925	0.093	2	116.0925	0.009	2	116.0925	0.009	2	116.3508	0.141	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:3:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C[6]-4:C-3:C-3:	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	N(C[6]C[6]2H)(CNO)2	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	N(C[6]C[6]2H)(CNO)2	116.3370	0.000	1	116.3370	0.000	1	116.3370	0.000	1	116.3508	0.141	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:4:	N-3:N-3:Se-1:	C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCCH)(CSeN)(CH3)	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCCH)(CSeN)(CH3)	117.5350	0.000	1	117.5350	0.000	1	116.9780	0.620	2	116.9780	0.620	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:3:4:	N-3:N-3:Se-1:	C[6]-4:C-3:H-1:	C-4:C-3:C-4:	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCHH)(CSeN)(CH3)	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCHH)(CSeN)(CH3)	116.4210	0.000	1	116.4210	0.000	1	116.9780	0.620	2	116.9780	0.620	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:H-1:	B-4:C-3:H-1:	C-4:C-4:C-3:	C(NBH)(NCC)(H)	N(BN[5]3)(CHN)(H)	N(CH3)2(CHN)	C(NBH)(NCC)(H)	N(BN[5]3)(CHN)(H)	N(CH3)2(CHN)	125.3600	0.440	2	125.3600	0.193	2	125.3600	0.193	2	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	N(CC3)(CNO)(H)	N(CH3)2(CNO)	C(NCC)(NCH)(O)	N(CC3)(CNO)(H)	N(CH3)2(CNO)	117.6540	0.000	1	117.6540	0.000	1	117.5040	5.766	4	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	N(CCCH)(CNO)(H)	N(CCCH)2(CNO)	C(NCC)(NCH)(O)	N(CCCH)(CNO)(H)	N(CCCH)2(CNO)	119.0805	1.182	2	119.0805	1.396	2	117.5040	5.766	4	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(O)	N(CCHH)(CNO)(H)	N(CH3)2(CNO)	C(NCC)(NCH)(O)	N(CCHH)(CNO)(H)	N(CH3)2(CNO)	114.2010	0.000	1	114.2010	0.000	1	117.5040	5.766	4	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:O-1:	C[5,6]-4:C-3:H-1:	C-4:C-4:C-3:	C(NC[5,6]H)(NCC)(O)	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	N(CH3)2(CNO)	C(NC[5,6]H)(NCC)(O)	N(C[5,6]C[5,6]C[5]C[6])(CNO)(H)	N(CH3)2(CNO)	115.5220	0.000	1	115.5220	0.000	1	115.5220	0.000	1	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:O-1:	C[5]-4:C-3:H-1:	C-4:C-4:C-3:	C(NC[5]H)(NCC)(O)	N(C[5]C[5]2C)(CNO)(H)	N(CH3)2(CNO)	C(NC[5]H)(NCC)(O)	N(C[5]C[5]2C)(CNO)(H)	N(CH3)2(CNO)	117.6340	0.000	1	117.6340	0.000	1	117.6340	0.000	1	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CH3)(CNS)(H)	N(CH3)2(CNS)	C(NCC)(NCH)(S)	N(CH3)(CNS)(H)	N(CH3)2(CNS)	117.1043	0.084	3	117.1043	0.007	3	117.1043	0.007	3	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:Se-1:	C[6]-4:C-3:H-1:	C-4:C-4:C-3:	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCCH)2(CSeN)	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCCH)2(CSeN)	117.0170	0.000	1	117.0170	0.000	1	118.0183	0.760	3	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:1:	4:4:3:	N-3:N-3:Se-1:	C[6]-4:C-3:H-1:	C-4:C-4:C-3:	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCHH)2(CSeN)	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	N(CCHH)2(CSeN)	118.5190	0.123	2	118.5190	0.015	2	118.0183	0.760	3	118.5186	10.251	14	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:2:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:O-2:	C-3:H-1:H-1:	C(NCO)(NHH)(O)	N(CC[5a]CH)(CNO)(OH)	N(CNO)(H)2	C(NCO)(NHH)(O)	N(CC[5a]CH)(CNO)(OH)	N(CNO)(H)2	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	117.0610	0.483	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:2:	3:1:1:	N-3:N-3:S-1:	C-4:C-3:N-2:	C-3:H-1:H-1:	C(NCN)(NHH)(S)	N(CH3)(CNS)(NC)	N(CNS)(H)2	C(NCN)(NHH)(S)	N(CH3)(CNS)(NC)	N(CNS)(H)2	116.6615	0.088	2	116.6615	0.008	2	116.6615	0.008	2	117.0610	0.483	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:2:	3:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]O)(O)	N(C[6]C[6]2C)(CNO)(OH)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]O)(O)	N(C[6]C[6]2C)(CNO)(OH)	N(C[6a]C[6a]2)(CNO)(H)	115.7070	0.147	2	115.7070	0.022	2	115.7070	0.022	2	116.7257	3.124	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:2:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:N-2:	C-3:C-3:H-1:	C(NCH)(NCN)(S)	N(CH3)(CNS)(NC)	N(CCS)(CNS)(H)	C(NCH)(NCN)(S)	N(CH3)(CNS)(NC)	N(CCS)(CNS)(H)	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	116.7257	3.124	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:2:	4:4:3:	N-3:N-3:O-1:	C[5]-4:C-3:O-2:	C-4:C-4:C-3:	C(NC[5]O)(NCC)(O)	N(C[5]C[5]2C)(CNO)(OH)	N(CH3)2(CNO)	C(NC[5]O)(NCC)(O)	N(C[5]C[5]2C)(CNO)(OH)	N(CH3)2(CNO)	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:N-3:	C-3:H-1:H-1:	C(NCN)(NHH)(O)	N(CH3)(CNO)(NCC)	N(CNO)(H)2	C(NCN)(NHH)(O)	N(CH3)(CNO)(NCC)	N(CNO)(H)2	116.9870	0.000	1	116.9870	0.000	1	116.9740	0.000	2	116.9838	0.008	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:N-3:	C-3:H-1:H-1:	C(NCN)(NHH)(O)	N(CH3)(CNO)(NCH)	N(CNO)(H)2	C(NCN)(NHH)(O)	N(CH3)(CNO)(NCH)	N(CNO)(H)2	116.9610	0.000	1	116.9610	0.000	1	116.9740	0.000	2	116.9838	0.008	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	3:1:1:	N-3:N-3:S-1:	C-4:C-3:N-3:	C-3:H-1:H-1:	C(NCN)(NHH)(S)	N(CH3)(CNS)(NHH)	N(CNS)(H)2	C(NCN)(NHH)(S)	N(CH3)(CNS)(NHH)	N(CNS)(H)2	116.9935	0.153	2	116.9935	0.024	2	116.9935	0.024	2	116.9838	0.008	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:N-3:	C-3:N-3:H-1:	C(NCN)(NHN)(O)	N(CCCH)(CNO)(NCH)	N(CNO)(NCC)(H)	C(NCN)(NHN)(O)	N(CCCH)(CNO)(NCH)	N(CNO)(NCC)(H)	114.9445	0.424	2	114.9445	0.179	2	114.9445	0.179	2	115.4078	3.756	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	3:3:1:	N-3:N-3:O-1:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C(NC[5]C)(NCH)(O)	N(C[5]C[5]O[5]H)(CCH)(CNO)	N(CNO)2(H)	C(NC[5]C)(NCH)(O)	N(C[5]C[5]O[5]H)(CCH)(CNO)	N(CNO)2(H)	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	115.4078	3.756	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	3:3:1:	N-3:N-3:O-1:	C[5]-4:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C[5])(NC[6a]H)(O)	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C[5])(NC[6a]H)(O)	N(C[5]C[5,5a]N[5]H)(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	114.8280	0.000	1	114.8280	0.000	1	114.8280	0.000	1	115.4078	3.756	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(S)	N(CH3)(CNS)(COO)	N(CNS)(COO)(H)	C(NCC)(NCH)(S)	N(CH3)(CNS)(COO)	N(CNS)(COO)(H)	113.6170	0.000	1	113.6170	0.000	1	113.6170	0.000	1	115.4078	3.756	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:N-3:	C-4:C-3:H-1:	C(NCH)(NCN)(O)	N(CH3)(CNO)(NCH)	N(CCCH)(CNO)(H)	C(NCH)(NCN)(O)	N(CH3)(CNO)(NCH)	N(CCCH)(CNO)(H)	116.8980	0.393	2	116.8980	0.155	2	116.8980	0.155	2	114.2007	2.041	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(CNO)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(CNO)	N(C[6]C[6]2H)(CNO)(H)	113.7467	0.768	4	113.7467	0.591	4	113.8411	1.143	15	114.2007	2.041	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(CNO)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(CNO)	N(C[6]C[6]2H)(CNO)(H)	113.1080	0.000	1	113.1080	0.000	1	113.8411	1.143	15	114.2007	2.041	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	N(C[6]C[6]2H)(CNO)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	N(C[6]C[6]2H)(CNO)(H)	113.9521	1.227	10	113.9521	1.504	10	113.8411	1.143	15	114.2007	2.041	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	4:3:3:	N-3:N-3:O-1:	C[6]-4:C-3:C-3:	C-4:C-3:C-3:	C(NC[6]C)(NCC)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	N(CCCH)(CCH)(CNO)	C(NC[6]C)(NCC)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	N(CCCH)(CCH)(CNO)	116.0910	0.000	1	116.0910	0.000	1	115.8750	0.093	2	115.8750	0.093	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:3:3:	4:3:3:	N-3:N-3:O-1:	C[6]-4:C-3:C-3:	C-4:C-3:C-3:	C(NC[6]C)(NCC)(O)	N(C[6]C[6]2H)(CNO)2	N(CCCH)(CCH)(CNO)	C(NC[6]C)(NCC)(O)	N(C[6]C[6]2H)(CNO)2	N(CCCH)(CCH)(CNO)	115.6590	0.000	1	115.6590	0.000	1	115.8750	0.093	2	115.8750	0.093	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	3:1:1:	N-3:N-3:O-1:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(O)	N(CH3)2(CNO)	N(CNO)(H)2	C(NCC)(NHH)(O)	N(CH3)2(CNO)	N(CNO)(H)2	119.3112	0.690	16	119.3112	0.476	16	119.3112	0.476	16	119.0946	0.684	19	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	3:1:1:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(S)	N(CCHH)2(CNS)	N(CNS)(H)2	C(NCC)(NHH)(S)	N(CCHH)2(CNS)	N(CNS)(H)2	118.4570	0.000	1	118.4570	0.000	1	117.9393	0.208	3	119.0946	0.684	19	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	3:1:1:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(S)	N(CH3)2(CNS)	N(CNS)(H)2	C(NCC)(NHH)(S)	N(CH3)2(CNS)	N(CNS)(H)2	117.6805	0.121	2	117.6805	0.015	2	117.9393	0.208	3	119.0946	0.684	19	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	3:2:1:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-3:N-2:H-1:	C(NCC)(NHN)(S)	N(CCHH)2(CNS)	N(CNS)(NC)(H)	C(NCC)(NHN)(S)	N(CCHH)2(CNS)	N(CNS)(NC)(H)	115.4400	0.000	1	115.4400	0.000	1	115.4400	0.000	1	115.4400	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	3:3:1:	N-3:N-3:O-1:	C[5]-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]C)(O)	N(C[5]C[5]2H)(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[5]C)(O)	N(C[5]C[5]2H)(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	116.9540	0.000	1	116.9540	0.000	1	116.9540	0.000	1	116.0210	2.073	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	3:3:1:	N-3:N-3:S-1:	C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCC)(S)	N(CC[6a]HH)(CCHH)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(S)	N(CC[6a]HH)(CCHH)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	116.0210	2.073	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	3:3:1:	N-3:N-3:S-1:	C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(NC[6]C)(NCH)(S)	N(C[6]C[6]2H)(CH3)(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[6]C)(NCH)(S)	N(C[6]C[6]2H)(CH3)(CNS)	N(CC[6a]O)(CNS)(H)	116.7460	0.000	1	116.7460	0.000	1	116.7460	0.000	1	116.0210	2.073	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:3:1:	N-3:N-3:H-1:	B-4:C-4:C-3:	C-4:C-3:H-1:	C(NBC)(NCH)(H)	N(BC[6a]2C)(CCCH)(CHN)	N(CCCH)(CHN)(H)	C(NBC)(NCH)(H)	N(BC[6a]2C)(CCCH)(CHN)	N(CCCH)(CHN)(H)	126.6700	0.000	1	126.6700	0.000	1	126.6700	0.000	1	120.2097	31.850	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:3:1:	N-3:N-3:O-1:	C-4:C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	N(CC[6a]HH)(CC[6]CH)(CNO)	N(CC[6a]HH)(CNO)(H)	C(NCC)(NCH)(O)	N(CC[6a]HH)(CC[6]CH)(CNO)	N(CC[6a]HH)(CNO)(H)	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	120.2097	31.850	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:3:1:	N-3:N-3:O-1:	C[5]-4:C-4:C-3:	C-4:C-3:H-1:	C(NC[5]C)(NCH)(O)	N(C[5]C[5]2H)(CH3)(CNO)	N(CH3)(CNO)(H)	C(NC[5]C)(NCH)(O)	N(C[5]C[5]2H)(CH3)(CNO)	N(CH3)(CNO)(H)	117.7200	0.000	1	117.7200	0.000	1	117.7200	0.000	1	120.2097	31.850	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(H)	N(CCCH)(CCHH)(CHN)	N(CCCH)(CCHH)(CHN)	C(NCC)2(H)	N(CCCH)(CCHH)(CHN)	N(CCCH)(CCHH)(CHN)	129.6410	0.099	2	129.6410	0.010	2	130.9148	2.686	6	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(H)	N(CCCH)2(CHN)	N(CCCH)2(CHN)	C(NCC)2(H)	N(CCCH)2(CHN)	N(CCCH)2(CHN)	133.2410	0.000	1	133.2410	0.000	1	130.9148	2.686	6	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(H)	N(CC[6a]HH)(CCHH)(CHN)	N(CC[6a]HH)(CCHH)(CHN)	C(NCC)2(H)	N(CC[6a]HH)(CCHH)(CHN)	N(CC[6a]HH)(CCHH)(CHN)	132.5310	0.000	1	132.5310	0.000	1	130.9148	2.686	6	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(H)	N(CH3)2(CHN)	N(CH3)2(CHN)	C(NCC)2(H)	N(CH3)2(CHN)	N(CH3)2(CHN)	130.2175	1.087	2	130.2175	1.181	2	130.9148	2.686	6	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C[5]-4:C-4:C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)2(H)	N(C[5]C[5]2Fe)(CCHH)(CHN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	C(NC[5]C)2(H)	N(C[5]C[5]2Fe)(CCHH)(CHN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	130.9550	0.000	1	130.9550	0.000	1	130.9550	0.000	1	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C[6,6]-4:C[5]-4:C-3:	C[5]-4:C-4:C-3:	C(NC[6,6]C[5])(NC[5]C)(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	C(NC[6,6]C[5])(NC[5]C)(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	N(C[5]C[5]2Fe)(CCHH)(CHN)	129.8710	0.000	1	129.8710	0.000	1	129.8710	0.000	1	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C[6,6]-4:C[5]-4:C-3:	C[6,6]-4:C[5]-4:C-3:	C(NC[6,6]C[5])2(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C(NC[6,6]C[5])2(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	131.1370	0.000	1	131.1370	0.000	1	131.1370	0.000	1	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:H-1:	C[6]-4:C-4:C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)2(H)	N(C[6]C[6]2H)(CCHH)(CHN)	N(C[6]C[6]2H)(CCHH)(CHN)	C(NC[6]C)2(H)	N(C[6]C[6]2H)(CCHH)(CHN)	N(C[6]C[6]2H)(CCHH)(CHN)	127.3620	0.000	1	127.3620	0.000	1	127.3620	0.000	1	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(O)	N(CCHH)(CH3)(CNO)	N(CH3)2(CNO)	C(NCC)2(O)	N(CCHH)(CH3)(CNO)	N(CH3)2(CNO)	116.3450	0.000	1	116.3450	0.000	1	116.4830	0.053	3	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(O)	N(CH3)2(CNO)	N(CH3)2(CNO)	C(NCC)2(O)	N(CH3)2(CNO)	N(CH3)2(CNO)	116.5520	0.279	2	116.5520	0.078	2	116.4830	0.053	3	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	P-4:C-4:C-3:	P-4:C-4:C-3:	C(NCP)2(O)	N(PC[6a]2Pd)(CH3)(CNO)	N(PPdOO)(CH3)(CNO)	C(NCP)2(O)	N(PC[6a]2Pd)(CH3)(CNO)	N(PPdOO)(CH3)(CNO)	120.0840	0.000	1	120.0840	0.000	1	118.2120	2.982	3	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	P-4:C-4:C-3:	P-4:C-4:C-3:	C(NCP)2(O)	N(PC[6a]2Pt)(CCHH)(CNO)	N(PC[6a]2Pt)(CCHH)(CNO)	C(NCP)2(O)	N(PC[6a]2Pt)(CCHH)(CNO)	N(PC[6a]2Pt)(CCHH)(CNO)	117.8710	0.000	1	117.8710	0.000	1	118.2120	2.982	3	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	P-4:C-4:C-3:	P-4:C-4:C-3:	C(NCP)2(O)	N(PC[6a]2Pt)(CH3)(CNO)	N(PC[6a]PtC)(CH3)(CNO)	C(NCP)2(O)	N(PC[6a]2Pt)(CH3)(CNO)	N(PC[6a]PtC)(CH3)(CNO)	116.6810	0.000	1	116.6810	0.000	1	118.2120	2.982	3	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:S-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(S)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(S)	N(CH3)2(CNS)	N(CH3)2(CNS)	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	124.9804	48.308	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	2:3:1:	4:3:1:	N-3:N-3:S-2:	N-2:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SCu)	N(NC[5])(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SCu)	N(NC[5])(CNS)(H)	N(CCHH)(CNS)(H)	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.0710	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:C-2:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(NOO)2(CN)	N(CCN)(O)2	N(CCN)(O)2	C(NOO)2(CN)	N(CCN)(O)2	N(CCN)(O)2	123.4890	0.306	3	123.4890	0.094	3	123.4890	0.094	3	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NC)	N(CNN)(H)2	N(CNN)(H)2	118.0972	1.317	63	118.0972	1.734	63	118.6232	2.318	97	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NH)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NH)	N(CNN)(H)2	N(CNN)(H)2	120.2053	0.969	21	120.2053	0.938	21	118.6232	2.318	97	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NN)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NN)	N(CNN)(H)2	N(CNN)(H)2	119.1382	2.054	6	119.1382	4.220	6	118.6232	2.318	97	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NS)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NS)	N(CNN)(H)2	N(CNN)(H)2	118.1687	0.593	7	118.1687	0.352	7	118.6232	2.318	97	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OCo)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OCo)	N(CNO)(H)2	N(CNO)(H)2	117.8115	0.351	2	117.8115	0.124	2	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OCr)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OCr)	N(CNO)(H)2	N(CNO)(H)2	119.3630	0.401	6	119.3630	0.161	6	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OCu)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OCu)	N(CNO)(H)2	N(CNO)(H)2	117.9303	0.901	3	117.9303	0.812	3	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OFe)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OFe)	N(CNO)(H)2	N(CNO)(H)2	119.7000	0.000	1	119.7000	0.000	1	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OH)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OH)	N(CNO)(H)2	N(CNO)(H)2	120.9382	1.648	9	120.9382	2.717	9	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OMg)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OMg)	N(CNO)(H)2	N(CNO)(H)2	117.2692	0.776	13	117.2692	0.601	13	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(ONi)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(ONi)	N(CNO)(H)2	N(CNO)(H)2	117.1304	0.563	5	117.1304	0.316	5	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OSn)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OSn)	N(CNO)(H)2	N(CNO)(H)2	118.6190	1.092	2	118.6190	1.192	2	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OZn)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OZn)	N(CNO)(H)2	N(CNO)(H)2	118.2990	0.681	3	118.2990	0.464	3	118.5460	2.915	44	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SAg)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SAg)	N(CNS)(H)2	N(CNS)(H)2	117.4870	0.061	2	117.4870	0.004	2	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SBi)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SBi)	N(CNS)(H)2	N(CNS)(H)2	117.4459	2.734	9	117.4459	7.472	9	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SC)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SC)	N(CNS)(H)2	N(CNS)(H)2	121.4745	0.686	18	121.4745	0.470	18	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SCd)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SCd)	N(CNS)(H)2	N(CNS)(H)2	118.5428	0.840	13	118.5428	0.706	13	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SCo)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SCo)	N(CNS)(H)2	N(CNS)(H)2	119.4589	0.930	11	119.4589	0.865	11	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SCu)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SCu)	N(CNS)(H)2	N(CNS)(H)2	117.6115	2.082	11	117.6115	4.333	11	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SFe)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SFe)	N(CNS)(H)2	N(CNS)(H)2	119.7110	1.751	2	119.7110	3.065	2	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SH)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SH)	N(CNS)(H)2	N(CNS)(H)2	124.6622	7.157	5	124.6622	51.218	5	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SI)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SI)	N(CNS)(H)2	N(CNS)(H)2	119.2127	0.412	3	119.2127	0.170	3	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SMn)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SMn)	N(CNS)(H)2	N(CNS)(H)2	118.3880	0.000	1	118.3880	0.000	1	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SNi)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SNi)	N(CNS)(H)2	N(CNS)(H)2	119.0291	0.664	7	119.0291	0.441	7	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SPd)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SPd)	N(CNS)(H)2	N(CNS)(H)2	119.5295	0.305	2	119.5295	0.093	2	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SPt)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SPt)	N(CNS)(H)2	N(CNS)(H)2	119.8182	0.615	17	119.8182	0.378	17	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SRu)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SRu)	N(CNS)(H)2	N(CNS)(H)2	122.0090	0.000	1	122.0090	0.000	1	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SS)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SS)	N(CNS)(H)2	N(CNS)(H)2	122.9566	0.595	8	122.9566	0.354	8	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SSn)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SSn)	N(CNS)(H)2	N(CNS)(H)2	118.9950	0.556	4	118.9950	0.309	4	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SZn)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SZn)	N(CNS)(H)2	N(CNS)(H)2	119.0626	0.743	7	119.0626	0.553	7	119.7551	6.282	121	119.1823	4.717	265	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:3:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)(NC)	N(CNN)(H)2	N(CNN)2(H)	C(NCH)(NHH)(NC)	N(CNN)(H)2	N(CNN)2(H)	118.7130	0.000	1	118.7130	0.000	1	118.7130	0.000	1	115.1670	4.042	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:1:1:	3:3:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)(ONi)	N(CNO)(H)2	N(CNO)2(H)	C(NCH)(NHH)(ONi)	N(CNO)(H)2	N(CNO)2(H)	114.2805	0.387	4	114.2805	0.149	4	114.2805	0.149	4	115.1670	4.042	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:N-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NH)	N(CNN)(NH)(H)	N(CNN)(H)2	C(NHH)(NHN)(NH)	N(CNN)(NH)(H)	N(CNN)(H)2	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SAg)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SAg)	N(CNS)(NC)(H)	N(CNS)(H)2	118.2267	0.108	3	118.2267	0.012	3	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SC)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SC)	N(CNS)(NC)(H)	N(CNS)(H)2	120.9395	1.315	2	120.9395	1.728	2	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SCd)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SCd)	N(CNS)(NC)(H)	N(CNS)(H)2	118.7260	0.403	2	118.7260	0.162	2	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SCu)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SCu)	N(CNS)(NC)(H)	N(CNS)(H)2	117.5365	0.950	2	117.5365	0.902	2	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SHg)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SHg)	N(CNS)(NC)(H)	N(CNS)(H)2	119.4740	0.000	1	119.4740	0.000	1	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SPb)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SPb)	N(CNS)(NC)(H)	N(CNS)(H)2	118.5420	0.000	1	118.5420	0.000	1	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SPd)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SPd)	N(CNS)(NC)(H)	N(CNS)(H)2	120.2490	0.000	1	120.2490	0.000	1	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SPt)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SPt)	N(CNS)(NC)(H)	N(CNS)(H)2	119.7585	0.289	2	119.7585	0.084	2	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SZn)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(SZn)	N(CNS)(NC)(H)	N(CNS)(H)2	118.7880	0.436	3	118.7880	0.190	3	119.0135	1.269	17	119.0184	1.195	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:1:	4:4:3:	N-3:N-3:S-2:	C-3:N-2:H-1:	C-4:C-4:C-3:	C(NCC)(NHN)(SPt)	N(CNS)(NC)(H)	N(CH3)2(CNS)	C(NCC)(NHN)(SPt)	N(CNS)(NC)(H)	N(CH3)2(CNS)	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	121.5500	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:As-2:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(AsN[6])(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]As)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(AsN[6])(CNN)	N(C[6a]C[6a]2)(CNN)(H)	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:2:3:	4:4:3:	N-3:N-3:N-2:	C[6a]-3:As-2:C-3:	C[6]-4:C[6]-4:C-3:	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(AsCl)(CNN)	N(C[6]C[6]2H)2(CNN)	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6a]C[6a]2)(AsCl)(CNN)	N(C[6]C[6]2H)2(CNN)	126.7910	0.000	1	126.7910	0.000	1	126.7910	0.000	1	126.7910	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CCO)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CCO)(CNN)(H)	N(CNN)(H)2	118.1370	0.000	1	118.1370	0.000	1	118.1405	6.588	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CC[5]O)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CC[5]O)(CNN)(H)	N(CNN)(H)2	118.3913	0.494	3	118.3913	0.244	3	118.1405	6.588	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CC[6a]O)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CC[6a]O)(CNN)(H)	N(CNN)(H)2	113.4530	0.000	1	113.4530	0.000	1	118.1405	6.588	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NH)	N(CC[6]O)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NH)	N(CC[6]O)(CNN)(H)	N(CNN)(H)2	116.4900	0.000	1	116.4900	0.000	1	118.1405	6.588	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NH)	N(CNN)(CNS)(H)	N(CNN)(H)2	C(NCH)(NHH)(NH)	N(CNN)(CNS)(H)	N(CNN)(H)2	119.2584	2.927	5	119.2584	8.565	5	118.1405	6.588	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NH)	N(CNN)(NHH)(H)	N(CNN)(H)2	C(NHH)(NHN)(NH)	N(CNN)(NHH)(H)	N(CNN)(H)2	118.7880	0.229	2	118.7880	0.052	2	119.1355	5.630	6	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NH)	N(CNN)(NOO)(H)	N(CNN)(H)2	C(NHH)(NHN)(NH)	N(CNN)(NOO)(H)	N(CNN)(H)2	114.9140	0.000	1	114.9140	0.000	1	119.1355	5.630	6	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NCH)(H)	N(CNN)(H)2	C(NHH)(NHN)(NN)	N(CNN)(NCH)(H)	N(CNN)(H)2	120.0480	0.000	1	120.0480	0.000	1	119.1355	5.630	6	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NHH)(H)	N(CNN)(H)2	C(NHH)(NHN)(NN)	N(CNN)(NHH)(H)	N(CNN)(H)2	120.3680	0.000	1	120.3680	0.000	1	119.1355	5.630	6	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NN)	N(CNN)(NOO)(H)	N(CNN)(H)2	C(NHH)(NHN)(NN)	N(CNN)(NOO)(H)	N(CNN)(H)2	121.9070	0.000	1	121.9070	0.000	1	119.1355	5.630	6	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NHH)(NN)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	C(NC[5]H)(NHH)(NN)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	120.4510	0.041	2	120.4510	0.002	2	120.4510	0.002	2	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	116.4427	1.603	23	116.4427	2.568	23	116.4427	2.568	23	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:O-2:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(ORh)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(H)2	C(NC[6a]H)(NHH)(ORh)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(H)2	116.9090	0.000	1	116.9090	0.000	1	116.9090	0.000	1	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:O-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(OCd)	N(NCdC)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(OCd)	N(NCdC)(CNO)(H)	N(CNO)(H)2	115.5160	0.000	1	115.5160	0.000	1	116.3414	1.185	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:O-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(OCo)	N(NCoC)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(OCo)	N(NCoC)(CNO)(H)	N(CNO)(H)2	116.4472	0.607	5	116.4472	0.368	5	116.3414	1.185	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:O-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(OFe)	N(NFeC)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(OFe)	N(NFeC)(CNO)(H)	N(CNO)(H)2	118.2530	0.000	1	118.2530	0.000	1	116.3414	1.185	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:O-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(OMn)	N(NMnC)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(OMn)	N(NMnC)(CNO)(H)	N(CNO)(H)2	115.8420	1.617	3	115.8420	2.613	3	116.3414	1.185	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:O-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(ORh)	N(NRhC)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(ORh)	N(NRhC)(CNO)(H)	N(CNO)(H)2	116.2240	0.000	1	116.2240	0.000	1	116.3414	1.185	11	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(SAg)	N(CCO)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(SAg)	N(CCO)(CNS)(H)	N(CNS)(H)2	117.1960	0.000	1	117.1960	0.000	1	117.3045	0.024	2	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(SCu)	N(CCO)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(SCu)	N(CCO)(CNS)(H)	N(CNS)(H)2	117.4130	0.000	1	117.4130	0.000	1	117.3045	0.024	2	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SCd)	N(CNS)(NHH)(H)	N(CNS)(H)2	C(NHH)(NHN)(SCd)	N(CNS)(NHH)(H)	N(CNS)(H)2	119.3385	0.271	2	119.3385	0.073	2	118.6345	0.856	4	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SCu)	N(CNS)(NHH)(H)	N(CNS)(H)2	C(NHH)(NHN)(SCu)	N(CNS)(NHH)(H)	N(CNS)(H)2	117.9305	0.715	2	117.9305	0.511	2	118.6345	0.856	4	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(SAg)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	C(NC[6a]H)(NHH)(SAg)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	116.0250	0.242	2	116.0250	0.058	2	117.5665	4.831	6	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	C(NC[6a]H)(NHH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	118.3372	2.378	4	118.3372	5.656	4	117.5665	4.831	6	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SMn)	N(NMnC)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SMn)	N(NMnC)(CNS)(H)	N(CNS)(H)2	114.8213	0.410	4	114.8213	0.168	4	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CNS)(H)2	117.4572	1.927	5	117.4572	3.714	5	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SPb)	N(NPbC)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SPb)	N(NPbC)(CNS)(H)	N(CNS)(H)2	114.3680	0.000	1	114.3680	0.000	1	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SPt)	N(NPtC)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SPt)	N(NPtC)(CNS)(H)	N(CNS)(H)2	117.6820	0.000	1	117.6820	0.000	1	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SRe)	N(NReC)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SRe)	N(NReC)(CNS)(H)	N(CNS)(H)2	117.1720	0.143	3	117.1720	0.020	3	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SRu)	N(NRuC)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SRu)	N(NRuC)(CNS)(H)	N(CNS)(H)2	116.7840	0.898	2	116.7840	0.806	2	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SSn)	N(NSnH)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SSn)	N(NSnH)(CNS)(H)	N(CNS)(H)2	117.5440	0.000	1	117.5440	0.000	1	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SZn)	N(NZnC)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SZn)	N(NZnC)(CNS)(H)	N(CNS)(H)2	115.8944	0.495	7	115.8944	0.245	7	116.3546	1.919	24	117.0796	3.740	90	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:2:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(SCd)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCd)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NC)(H)	117.0940	0.000	1	117.0940	0.000	1	115.3243	2.417	3	115.3243	2.417	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:2:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NC)(H)	C(NC[6a]H)(NHN)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NC)(H)	114.4395	0.368	2	114.4395	0.136	2	115.3243	2.417	3	115.3243	2.417	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(NCl)	N(CNN)(COO)(H)	N(CNN)(COO)(H)	C(NCH)2(NCl)	N(CNN)(COO)(H)	N(CNN)(COO)(H)	119.3390	0.250	2	119.3390	0.063	2	119.3390	0.063	2	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(NHN)2(NN)	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	C(NHN)2(NN)	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(COO)(H)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(COO)(H)	116.6047	1.613	3	116.6047	2.603	3	116.3593	1.976	4	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]N[6a])(CNN)(H)	N(CNN)(COO)(H)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]N[6a])(CNN)(H)	N(CNN)(COO)(H)	115.6230	0.000	1	115.6230	0.000	1	116.3593	1.976	4	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	116.2975	1.064	2	116.2975	1.133	2	115.3440	2.126	12	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[5a])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[5a])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	116.6730	0.000	1	116.6730	0.000	1	115.3440	2.126	12	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	114.4626	1.214	7	114.4626	1.473	7	115.3440	2.126	12	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NS)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NS)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	116.8110	0.304	2	116.8110	0.092	2	115.3440	2.126	12	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:O-2:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6]H)(OCu)	N(C[6]C[6]N[6])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NC[6]H)(OCu)	N(C[6]C[6]N[6])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:O-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(OH)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(OH)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:O-2:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(NC[6a]H)(NHN)(OCd)	N(C[6a]C[6a]2)(CNO)(H)	N(NCdC)(CNO)(H)	C(NC[6a]H)(NHN)(OCd)	N(C[6a]C[6a]2)(CNO)(H)	N(NCdC)(CNO)(H)	111.7540	0.000	1	111.7540	0.000	1	111.7540	0.000	1	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(SRu)	N(C[5]N[5]S[5])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NC[5]H)(SRu)	N(C[5]N[5]S[5])(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6]H)(NCH)(SZn)	N(C[6]C[6]N[6])(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6]H)(NCH)(SZn)	N(C[6]C[6]N[6])(CNS)(H)	N(CC[6a]O)(CNS)(H)	115.9695	0.039	2	115.9695	0.002	2	115.9695	0.002	2	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	116.7943	0.812	3	116.7943	0.660	3	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(COO)(H)	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(COO)(H)	117.9355	0.418	2	117.9355	0.175	2	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SCu)	N(C[6a]C[6a]N[6a])(CNS)(H)	N(CC[6a]O)(CNS)(H)	115.4600	0.294	2	115.4600	0.087	2	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SHg)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SHg)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	118.1250	0.000	1	118.1250	0.000	1	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SRh)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRh)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	118.5200	0.000	1	118.5200	0.000	1	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a,6a]C[6a])(CNS)(H)	N(CC[5a]O)(CNS)(H)	118.0860	0.000	1	118.0860	0.000	1	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[5a]O)(CNS)(H)	117.6597	0.436	3	117.6597	0.190	3	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NC[6a]H)(NCH)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]O)(CNS)(H)	117.0817	0.406	3	117.0817	0.165	3	117.2581	0.928	16	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	118.4413	0.540	14	118.4413	0.291	14	118.4976	0.318	15	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(SPd)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SPd)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	119.2860	0.000	1	119.2860	0.000	1	118.4976	0.318	15	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(NC[6a]H)(NHN)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(NCuC)(CNS)(H)	C(NC[6a]H)(NHN)(SCu)	N(C[6a]C[6a]2)(CNS)(H)	N(NCuC)(CNS)(H)	119.9830	0.000	1	119.9830	0.000	1	115.2644	7.933	5	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(NC[6a]H)(NHN)(SNi)	N(C[6a]C[6a]2)(CNS)(H)	N(NNiC)(CNS)(H)	C(NC[6a]H)(NHN)(SNi)	N(C[6a]C[6a]2)(CNS)(H)	N(NNiC)(CNS)(H)	113.2880	0.000	1	113.2880	0.000	1	115.2644	7.933	5	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(NC[6a]H)(NHN)(SRe)	N(C[6a]C[6a]2)(CNS)(H)	N(NReC)(CNS)(H)	C(NC[6a]H)(NHN)(SRe)	N(C[6a]C[6a]2)(CNS)(H)	N(NReC)(CNS)(H)	113.3900	0.000	1	113.3900	0.000	1	115.2644	7.933	5	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:S-2:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(NC[6a]H)(NHN)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	N(NRuC)(CNS)(H)	C(NC[6a]H)(NHN)(SRu)	N(C[6a]C[6a]2)(CNS)(H)	N(NRuC)(CNS)(H)	114.8305	1.292	2	114.8305	1.669	2	115.2644	7.933	5	116.8753	4.482	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NC)	N(CC[5]O)(CNN)(H)	N(CH3)(CNN)(H)	C(NCH)2(NC)	N(CC[5]O)(CNN)(H)	N(CH3)(CNN)(H)	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CC3)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CC3)(CNN)(H)	118.7685	0.711	2	118.7685	0.505	2	118.4024	0.983	8	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CCHH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CCHH)(CNN)(H)	118.3555	0.350	2	118.3555	0.123	2	118.4024	0.983	8	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(CNN)(H)	C(NC[6a]H)(NCH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(CNN)(H)	118.2428	1.400	4	118.2428	1.961	4	118.4024	0.983	8	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SPt)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SPt)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CNS)(H)	118.8240	0.161	4	118.8240	0.026	4	118.5395	0.216	6	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SRu)	N(CC[5a]O)(CNS)(H)	N(CCCH)(CNS)(H)	C(NCH)2(SRu)	N(CC[5a]O)(CNS)(H)	N(CCCH)(CNS)(H)	117.9705	0.173	2	117.9705	0.030	2	118.5395	0.216	6	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SCd)	N(NCdC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SCd)	N(NCdC)(CNS)(H)	N(CH3)(CNS)(H)	114.4700	0.000	1	114.4700	0.000	1	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SCu)	N(NCuC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SCu)	N(NCuC)(CNS)(H)	N(CH3)(CNS)(H)	115.8787	1.427	3	115.8787	2.038	3	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SFe)	N(NFeC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SFe)	N(NFeC)(CNS)(H)	N(CH3)(CNS)(H)	117.0210	0.000	1	117.0210	0.000	1	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CH3)(CNS)(H)	115.8310	3.335	4	115.8310	11.125	4	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SPd)	N(NPdC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SPd)	N(NPdC)(CNS)(H)	N(CH3)(CNS)(H)	116.7280	0.000	1	116.7280	0.000	1	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SRe)	N(NReC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SRe)	N(NReC)(CNS)(H)	N(CH3)(CNS)(H)	115.1430	0.000	1	115.1430	0.000	1	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SRu)	N(NRuC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SRu)	N(NRuC)(CNS)(H)	N(CH3)(CNS)(H)	116.7855	0.101	2	116.7855	0.010	2	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SZn)	N(NC[6]Zn)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SZn)	N(NC[6]Zn)(CNS)(H)	N(CH3)(CNS)(H)	115.8980	0.767	2	115.8980	0.588	2	115.9793	3.150	15	117.1522	3.355	30	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:4:3:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CCHH)2(CNN)	C(NC[6a]H)(NCC)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CCHH)2(CNN)	117.1390	0.000	1	117.1390	0.000	1	117.1363	0.069	3	117.4555	3.950	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:4:3:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(CH3)(CNN)	C(NC[6a]H)(NCC)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(CH3)(CNN)	116.8730	0.000	1	116.8730	0.000	1	117.1363	0.069	3	117.4555	3.950	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:4:3:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(NTi)	N(C[6a]C[6a]2)(CNN)(H)	N(CH3)2(CNN)	C(NC[6a]H)(NCC)(NTi)	N(C[6a]C[6a]2)(CNN)(H)	N(CH3)2(CNN)	117.3970	0.000	1	117.3970	0.000	1	117.1363	0.069	3	117.4555	3.950	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:4:3:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CH3)2(CNS)	C(NCC)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CH3)2(CNS)	115.9950	0.023	2	115.9950	0.001	2	117.7747	9.502	3	117.4555	3.950	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:1:	4:4:3:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NHN)(SRe)	N(NReC)(CNS)(H)	N(CCHH)2(CNS)	C(NCC)(NHN)(SRe)	N(NReC)(CNS)(H)	N(CCHH)2(CNS)	121.3340	0.000	1	121.3340	0.000	1	117.7747	9.502	3	117.4555	3.950	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:3:	3:1:1:	N-3:N-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a]2)(NHH)(OH)	N(C[6a]C[6a]2)2(CNO)	N(CNO)(H)2	C(NC[6a]2)(NHH)(OH)	N(C[6a]C[6a]2)2(CNO)	N(CNO)(H)2	122.1590	0.581	11	122.1590	0.338	11	122.1590	0.338	11	122.1590	0.338	11	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(NS)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]C)(NC[6a]H)(NS)	N(C[6a]C[6a]2)(CC[6a]O)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	114.1500	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:3:	3:3:3:	N-3:N-3:N-2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)2(NC)	N(C[6a]C[6a]2)(CNN)2	N(C[6a]C[6a]2)(CNN)2	C(NC[6a]C)2(NC)	N(C[6a]C[6a]2)(CNN)2	N(C[6a]C[6a]2)(CNN)2	115.7690	0.000	1	115.7690	0.000	1	115.7690	0.000	1	115.7690	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:3:3:	4:3:1:	N-3:N-3:N-2:	C[6a]-3:N-3:C-3:	C-4:C-3:H-1:	C(NC[6a]N)(NCH)(NC)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a]N)(NCH)(NC)	N(C[6a]C[6a]2)(NC[6a]H)(CNN)	N(CCCH)(CNN)(H)	114.7820	0.000	1	114.7820	0.000	1	114.7820	0.000	1	114.7820	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:3:	3:1:1:	N-3:N-3:N-2:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:	C(NC[6a]C)(NHH)(NC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CNN)(H)2	C(NC[6a]C)(NHH)(NC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CNN)(H)2	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	116.6730	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:3:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:Si-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(SiC3)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(SiC3)(CNN)	N(C[6a]C[6a]2)(CNN)(H)	112.7495	0.012	2	112.7495	0.000	2	112.7495	0.000	2	112.7495	0.000	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:3:	3:4:3:	N-3:N-3:N-2:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NC[6a])	N(C[6a]C[6a]2)(CCHH)(CNN)	N(C[6a]C[6a]2)(CCHH)(CNN)	C(NC[6a]C)2(NC[6a])	N(C[6a]C[6a]2)(CCHH)(CNN)	N(C[6a]C[6a]2)(CCHH)(CNN)	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	118.7055	35.964	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:3:	3:4:3:	N-3:N-3:O-2:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(OP)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(OP)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	122.9460	0.000	1	122.9460	0.000	1	122.9460	0.000	1	118.7055	35.964	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(NS)	N(CC[6a]O)(CCCH)(CNN)	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NS)	N(CC[6a]O)(CCCH)(CNN)	N(CCCH)(CNN)(H)	113.6180	0.000	1	113.6180	0.000	1	113.6190	0.000	2	114.7647	3.938	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:3:	4:3:1:	N-3:N-3:N-2:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(NS)	N(CC[6a]O)(CCHH)(CNN)	N(CC3)(CNN)(H)	C(NCC)(NCH)(NS)	N(CC[6a]O)(CCHH)(CNN)	N(CC3)(CNN)(H)	113.6200	0.000	1	113.6200	0.000	1	113.6190	0.000	2	114.7647	3.938	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	3:4:3:	4:3:1:	N-3:N-3:S-2:	N-3:C-4:C-3:	C-4:C-3:H-1:	C(NCH)(NCN)(SPd)	N(NPdH)(CH3)(CNS)	N(CC3)(CNS)(H)	C(NCH)(NCN)(SPd)	N(NPdH)(CH3)(CNS)	N(CC3)(CNS)(H)	117.0560	0.000	1	117.0560	0.000	1	117.0560	0.000	1	114.7647	3.938	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NC)	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NC)	N(CCHH)(CNN)(H)	N(CNN)(H)2	119.1280	0.000	1	119.1280	0.000	1	120.1072	0.902	4	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NN)	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NN)	N(CCHH)(CNN)(H)	N(CNN)(H)2	120.4337	0.845	3	120.4337	0.714	3	120.1072	0.902	4	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:N-2:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NN)	N(NH3)(CNN)(H)	N(CNN)(H)2	C(NHH)(NHN)(NN)	N(NH3)(CNN)(H)	N(CNN)(H)2	116.6445	0.452	2	116.6445	0.204	2	116.6445	0.204	2	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(SAg)	N(CCHH)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(SAg)	N(CCHH)(CNS)(H)	N(CNS)(H)2	119.2350	1.274	2	119.2350	1.624	2	120.0627	2.365	12	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(SCu)	N(CH3)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(SCu)	N(CH3)(CNS)(H)	N(CNS)(H)2	119.3670	0.000	1	119.3670	0.000	1	120.0627	2.365	12	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(SPt)	N(CH3)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(SPt)	N(CH3)(CNS)(H)	N(CNS)(H)2	120.3397	1.032	6	120.3397	1.066	6	120.0627	2.365	12	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(SS)	N(CH3)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(SS)	N(CH3)(CNS)(H)	N(CNS)(H)2	123.0690	0.000	1	123.0690	0.000	1	120.0627	2.365	12	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(SZn)	N(CCHH)(CNS)(H)	N(CNS)(H)2	C(NCH)(NHH)(SZn)	N(CCHH)(CNS)(H)	N(CNS)(H)2	118.9040	2.242	2	118.9040	5.024	2	120.0627	2.365	12	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CNS)(H)2	119.8252	1.719	6	119.8252	2.956	6	119.3943	2.509	9	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SPd)	N(NPdHH)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SPd)	N(NPdHH)(CNS)(H)	N(CNS)(H)2	119.0725	0.446	2	119.0725	0.199	2	119.3943	2.509	9	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SZn)	N(NZnHH)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SZn)	N(NZnHH)(CNS)(H)	N(CNS)(H)2	117.4530	0.000	1	117.4530	0.000	1	119.3943	2.509	9	119.5933	2.709	27	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:2:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(SAg)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	117.4245	0.045	2	117.4245	0.002	2	117.3132	0.075	4	117.3132	0.075	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:2:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(SCu)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(SCu)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	117.2020	0.416	2	117.2020	0.173	2	117.3132	0.075	4	117.3132	0.075	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(NC)	N(CCCH)(CNN)(H)	N(CNN)(COO)(H)	C(NCH)2(NC)	N(CCCH)(CNN)(H)	N(CNN)(COO)(H)	118.2380	0.000	1	118.2380	0.000	1	118.2417	0.566	3	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(NC)	N(CC[6a]HH)(CNN)(H)	N(CNN)(COO)(H)	C(NCH)2(NC)	N(CC[6a]HH)(CNN)(H)	N(CNN)(COO)(H)	117.4910	0.000	1	117.4910	0.000	1	118.2417	0.566	3	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(NC)	N(CH3)(CNN)(H)	N(CNN)(COO)(H)	C(NCH)2(NC)	N(CH3)(CNN)(H)	N(CNN)(COO)(H)	118.9960	0.000	1	118.9960	0.000	1	118.2417	0.566	3	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:N-2:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[5]C[5]2Fe)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)(NC[5]H)(NC[6a])	N(C[5]C[5]2Fe)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	114.4520	0.000	1	114.4520	0.000	1	114.4520	0.000	1	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(SRu)	N(CC[5a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NCH)2(SRu)	N(CC[5a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	117.4690	0.317	2	117.4690	0.100	2	117.9500	0.254	9	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(SRu)	N(CC[5a]HH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NCH)2(SRu)	N(CC[5a]HH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	117.7370	0.000	1	117.7370	0.000	1	117.9500	0.254	9	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(SRu)	N(CC[6a]CH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NCH)2(SRu)	N(CC[6a]CH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	118.0503	0.373	3	118.0503	0.139	3	117.9500	0.254	9	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(SRu)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	C(NCH)2(SRu)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]O)(CNS)(H)	117.6970	0.000	1	117.6970	0.000	1	117.9500	0.254	9	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(SRu)	N(CC[6a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	C(NCH)2(SRu)	N(CC[6a]HH)(CNS)(H)	N(CC[5a]O)(CNS)(H)	118.5135	0.647	2	118.5135	0.419	2	117.9500	0.254	9	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(NCH)(NHN)(SRe)	N(CCHH)(CNS)(H)	N(NReC)(CNS)(H)	C(NCH)(NHN)(SRe)	N(CCHH)(CNS)(H)	N(NReC)(CNS)(H)	116.4140	0.000	1	116.4140	0.000	1	115.8614	0.551	8	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(NCH)(NHN)(SRu)	N(CCHH)(CNS)(H)	N(NRuC)(CNS)(H)	C(NCH)(NHN)(SRu)	N(CCHH)(CNS)(H)	N(NRuC)(CNS)(H)	116.4627	0.524	3	116.4627	0.274	3	115.8614	0.551	8	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(NCH)(NHN)(SZn)	N(CCCH)(CNS)(H)	N(NZnC)(CNS)(H)	C(NCH)(NHN)(SZn)	N(CCCH)(CNS)(H)	N(NZnC)(CNS)(H)	115.2722	0.422	4	115.2722	0.178	4	115.8614	0.551	8	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-3:N-3:H-1:	C(NHN)2(SFe)	N(NFeHH)(CNS)(H)	N(CNS)(NHH)(H)	C(NHN)2(SFe)	N(NFeHH)(CNS)(H)	N(CNS)(NHH)(H)	116.1240	0.000	1	116.1240	0.000	1	116.1240	0.000	1	116.9883	1.781	22	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NC)	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NCH)2(NC)	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	120.0880	0.000	1	120.0880	0.000	1	120.8248	4.472	6	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NN)	N(CCCH)(CNN)(H)	N(CCHH)(CNN)(H)	C(NCH)2(NN)	N(CCCH)(CNN)(H)	N(CCHH)(CNN)(H)	121.9742	0.737	4	121.9742	0.543	4	120.8248	4.472	6	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NN)	N(CCHH)(CNN)(H)	N(CC3)(CNN)(H)	C(NCH)2(NN)	N(CCHH)(CNN)(H)	N(CC3)(CNN)(H)	116.9640	0.000	1	116.9640	0.000	1	120.8248	4.472	6	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:N-2:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)2(NC[6a])	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NC[6a])	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	115.6930	0.000	1	115.6930	0.000	1	115.4120	0.158	2	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:N-2:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)2(NN)	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)2(NN)	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	115.1310	0.000	1	115.1310	0.000	1	115.4120	0.158	2	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:O-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(OW)	N(CH3)(CNO)(H)	N(CH3)(CNO)(H)	C(NCH)2(OW)	N(CH3)(CNO)(H)	N(CH3)(CNO)(H)	115.6960	0.000	1	115.6960	0.000	1	116.1290	0.375	2	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:O-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(OZn)	N(CCHH)(CNO)(H)	N(CC3)(CNO)(H)	C(NCH)2(OZn)	N(CCHH)(CNO)(H)	N(CC3)(CNO)(H)	116.5620	0.000	1	116.5620	0.000	1	116.1290	0.375	2	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SAg)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SAg)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	118.3711	1.041	7	118.3711	1.084	7	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SAg)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SAg)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	115.4170	0.000	1	115.4170	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SC)	N(CCCH)(CNS)(H)	N(CCCH)(CNS)(H)	C(NCH)2(SC)	N(CCCH)(CNS)(H)	N(CCCH)(CNS)(H)	123.7045	0.872	2	123.7045	0.760	2	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SC)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SC)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	123.3000	0.000	1	123.3000	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SC)	N(CC[6]HH)(CNS)(H)	N(CC[6]HH)(CNS)(H)	C(NCH)2(SC)	N(CC[6]HH)(CNS)(H)	N(CC[6]HH)(CNS)(H)	122.8900	0.000	1	122.8900	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SC)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	C(NCH)2(SC)	N(CC[6a]CH)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	122.0470	1.254	2	122.0470	1.574	2	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SCo)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SCo)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	119.1548	0.713	4	119.1548	0.509	4	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SCo)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SCo)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	119.6815	0.548	2	119.6815	0.300	2	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SCu)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SCu)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	118.1930	1.869	3	118.1930	3.492	3	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SCu)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SCu)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	118.1415	0.422	2	118.1415	0.178	2	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SHg)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SHg)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	119.7970	0.000	1	119.7970	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SI)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SI)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	119.4380	0.000	1	119.4380	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SNi)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SNi)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	118.6770	0.000	1	118.6770	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SPt)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SPt)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	118.9573	0.532	4	118.9573	0.283	4	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SRe)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SRe)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	120.8240	0.000	1	120.8240	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SRh)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SRh)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	118.0390	0.000	1	118.0390	0.000	1	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SZn)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)2(SZn)	N(CH3)(CNS)(H)	N(CH3)(CNS)(H)	118.8769	0.583	7	118.8769	0.339	7	119.3486	3.438	41	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)2(STe)	N(C[6]C[6]2H)(CNS)(H)	N(C[6]C[6]2H)(CNS)(H)	C(NC[6]H)2(STe)	N(C[6]C[6]2H)(CNS)(H)	N(C[6]C[6]2H)(CNS)(H)	119.7673	2.532	3	119.7673	6.410	3	119.7673	6.410	3	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SIr)	N(NIrHH)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SIr)	N(NIrHH)(CNS)(H)	N(CH3)(CNS)(H)	117.3070	0.000	1	117.3070	0.000	1	116.4080	2.403	7	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SNi)	N(NNiCC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SNi)	N(NNiCC)(CNS)(H)	N(CH3)(CNS)(H)	115.6200	0.000	1	115.6200	0.000	1	116.4080	2.403	7	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CCHH)(CNS)(H)	116.5410	2.042	4	116.5410	4.169	4	116.4080	2.403	7	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SZn)	N(NZnHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SZn)	N(NZnHH)(CNS)(H)	N(CCHH)(CNS)(H)	115.7650	0.000	1	115.7650	0.000	1	116.4080	2.403	7	118.9423	5.058	61	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:1:	4:4:3:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(NS)	N(CC3)(CNN)(H)	N(CH3)2(CNN)	C(NCC)(NCH)(NS)	N(CC3)(CNN)(H)	N(CH3)2(CNN)	116.5900	0.000	1	116.5900	0.000	1	116.5900	0.000	1	116.5900	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:2:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:N-2:	C-3:H-1:H-1:	C(NCN)(NHH)(NN)	N(CC[6a]HH)(CNN)(NC)	N(CNN)(H)2	C(NCN)(NHH)(NN)	N(CC[6a]HH)(CNN)(NC)	N(CNN)(H)2	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:3:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:N-3:	C-3:H-1:H-1:	C(NCN)(NHH)(NN)	N(CH3)(CNN)(NOO)	N(CNN)(H)2	C(NCN)(NHH)(NN)	N(CH3)(CNN)(NOO)	N(CNN)(H)2	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:3:	4:3:1:	N-3:N-3:N-2:	C[6]-4:C-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]C)(NC[6]H)(NS)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]C)(NC[6]H)(NS)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	N(C[6]C[6]2H)(CNN)(H)	114.3966	0.662	5	114.3966	0.438	5	114.3966	0.438	5	114.3966	0.438	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:3:3:	4:4:3:	N-3:N-3:N-2:	C-4:Ga-3:C-3:	C-4:C-4:C-3:	C(NGaC)(NCC)(NC)	N(CCCH)(GaNN)(CNN)	N(CH3)2(CNN)	C(NGaC)(NCC)(NC)	N(CCCH)(GaNN)(CNN)	N(CH3)2(CNN)	122.1600	0.403	2	122.1600	0.162	2	122.1600	0.162	2	122.1600	0.162	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:1:1:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(NC)	N(CH3)2(CNN)	N(CNN)(H)2	C(NCC)(NHH)(NC)	N(CH3)2(CNN)	N(CNN)(H)2	119.3527	1.561	20	119.3527	2.438	20	119.4584	2.323	22	119.9994	3.895	28	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:1:1:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(NH)	N(CCHH)(CH3)(CNN)	N(CNN)(H)2	C(NCC)(NHH)(NH)	N(CCHH)(CH3)(CNN)	N(CNN)(H)2	120.5150	0.000	2	120.5150	0.000	2	119.4584	2.323	22	119.9994	3.895	28	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:1:1:	N-3:N-3:O-2:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(OH)	N(CH3)2(CNO)	N(CNO)(H)2	C(NCC)(NHH)(OH)	N(CH3)2(CNO)	N(CNO)(H)2	120.8950	0.000	1	120.8950	0.000	1	121.9830	5.267	6	119.9994	3.895	28	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:1:1:	N-3:N-3:O-2:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(ON)	N(CH3)2(CNO)	N(CNO)(H)2	C(NCC)(NHH)(ON)	N(CH3)2(CNO)	N(CNO)(H)2	123.9967	0.456	3	123.9967	0.208	3	121.9830	5.267	6	119.9994	3.895	28	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:1:1:	N-3:N-3:O-2:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(OZn)	N(CH3)2(CNO)	N(CNO)(H)2	C(NCC)(NHH)(OZn)	N(CH3)2(CNO)	N(CNO)(H)2	119.5065	0.552	2	119.5065	0.305	2	121.9830	5.267	6	119.9994	3.895	28	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:3:1:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(NCo)	N(CH3)2(CNN)	N(CNN)2(H)	C(NCC)(NCH)(NCo)	N(CH3)2(CNN)	N(CNN)2(H)	116.4200	0.846	2	116.4200	0.715	2	118.4017	12.139	3	118.4793	8.116	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:3:1:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(NH)	N(CH3)2(CNN)	N(CNN)2(H)	C(NCC)(NCH)(NH)	N(CH3)2(CNN)	N(CNN)2(H)	122.3650	0.000	1	122.3650	0.000	1	118.4017	12.139	3	118.4793	8.116	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	3:3:1:	N-3:N-3:S-2:	C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NCC)(SZn)	N(CC[6a]HH)(CC[6]HH)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)(NCC)(SZn)	N(CC[6a]HH)(CC[6]HH)(CNS)	N(C[6a]C[6a]2)(CNS)(H)	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	118.4793	8.116	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:3:1:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(SPt)	N(CCHH)(CH3)(CNS)	N(CH3)(CNS)(H)	C(NCC)(NCH)(SPt)	N(CCHH)(CH3)(CNS)	N(CH3)(CNS)(H)	119.5600	1.198	6	119.5600	1.435	6	119.5600	1.435	6	119.5600	1.435	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:C-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(CC)	N(CH3)2(CCN)	N(CH3)2(CCN)	C(NCC)2(CC)	N(CH3)2(CCN)	N(CH3)2(CCN)	123.3750	0.387	2	123.3750	0.150	2	123.3750	0.150	2	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CH3)2(CNN)	N(CH3)2(CNN)	117.1050	1.724	6	117.1050	2.971	6	116.0079	4.233	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGa)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NGa)	N(CH3)2(CNN)	N(CH3)2(CNN)	117.6840	0.000	1	117.6840	0.000	1	116.0079	4.233	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGe)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NGe)	N(CH3)2(CNN)	N(CH3)2(CNN)	114.5440	0.000	1	114.5440	0.000	1	116.0079	4.233	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NH)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NH)	N(CH3)2(CNN)	N(CH3)2(CNN)	120.3970	0.000	1	120.3970	0.000	1	116.0079	4.233	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NP)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NP)	N(CH3)2(CNN)	N(CH3)2(CNN)	114.8060	1.291	8	114.8060	1.666	8	116.0079	4.233	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NTi)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NTi)	N(CH3)2(CNN)	N(CH3)2(CNN)	114.4400	0.000	1	114.4400	0.000	1	116.0079	4.233	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:Si-4:C-3:	Si-4:Si-4:C-3:	C(NSi2)(NSiC)(NC)	N(CCCH)(SiC3)(CNN)	N(SiC3)2(CNN)	C(NSi2)(NSiC)(NC)	N(CCCH)(SiC3)(CNN)	N(SiC3)2(CNN)	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:O-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(OMo)	N(CCHH)2(CNO)	N(CCHH)2(CNO)	C(NCC)2(OMo)	N(CCHH)2(CNO)	N(CCHH)2(CNO)	123.3440	0.000	1	123.3440	0.000	1	121.6009	2.463	8	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:O-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(OW)	N(CH3)2(CNO)	N(CH3)2(CNO)	C(NCC)2(OW)	N(CH3)2(CNO)	N(CH3)2(CNO)	121.3519	1.515	7	121.3519	2.295	7	121.6009	2.463	8	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(SCd)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(SCd)	N(CH3)2(CNS)	N(CH3)2(CNS)	119.3885	0.033	2	119.3885	0.001	2	118.9692	1.912	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(SCo)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(SCo)	N(CH3)2(CNS)	N(CH3)2(CNS)	119.3803	0.512	6	119.3803	0.262	6	118.9692	1.912	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(SHg)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(SHg)	N(CH3)2(CNS)	N(CH3)2(CNS)	120.8430	1.984	2	120.8430	3.937	2	118.9692	1.912	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(SMo)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(SMo)	N(CH3)2(CNS)	N(CH3)2(CNS)	117.4373	0.740	3	117.4373	0.547	3	118.9692	1.912	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(SNi)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(SNi)	N(CH3)2(CNS)	N(CH3)2(CNS)	118.5870	0.000	1	118.5870	0.000	1	118.9692	1.912	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(SSe)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(SSe)	N(CH3)2(CNS)	N(CH3)2(CNS)	121.0270	0.000	1	121.0270	0.000	1	118.9692	1.912	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:S-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(SW)	N(CH3)2(CNS)	N(CH3)2(CNS)	C(NCC)2(SW)	N(CH3)2(CNS)	N(CH3)2(CNS)	117.5917	0.575	3	117.5917	0.330	3	118.9692	1.912	18	118.4862	7.902	47	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCC)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CCC)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	117.8030	0.000	1	117.8030	0.000	1	118.5175	1.243	14	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[5]N)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CC[5]N)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	118.7418	0.392	5	118.7418	0.154	5	118.5175	1.243	14	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[5a]N)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CC[5a]N)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	118.5445	0.501	4	118.5445	0.251	4	118.5175	1.243	14	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]N)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CC[6a]N)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	115.8890	0.000	1	115.8890	0.000	1	118.5175	1.243	14	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHH)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CHH)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	121.1500	0.000	1	121.1500	0.000	1	118.5175	1.243	14	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CNN)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CNN)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	118.2580	0.228	2	118.2580	0.052	2	118.5175	1.243	14	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(CC[6a]2)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	C(CC[6a]2)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	110.7270	0.000	1	110.7270	0.000	1	117.6973	9.363	15	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(CHN)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	C(CHN)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	119.8533	0.325	3	119.8533	0.106	3	117.6973	9.363	15	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(CNN)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	C(CNN)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	118.2329	2.649	9	118.2329	7.020	9	117.6973	9.363	15	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(CNO)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	C(CNO)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	115.5385	0.532	2	115.5385	0.284	2	117.6973	9.363	15	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[5]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[5]C[5]N[5])(NOO)2	N(CC[5]N)(O)2	N(CC[5]N)(O)2	C(C[5]C[5]N[5])(NOO)2	N(CC[5]N)(O)2	N(CC[5]N)(O)2	121.6540	0.000	1	121.6540	0.000	1	121.0309	4.899	16	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[5]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[5]N[5]2)(NOO)2	N(CC[5]N)(O)2	N(CC[5]N)(O)2	C(C[5]N[5]2)(NOO)2	N(CC[5]N)(O)2	N(CC[5]N)(O)2	120.5898	2.189	13	120.5898	4.791	13	121.0309	4.899	16	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[5]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[5]N[5]O[5])(NOO)2	N(CC[5]N)(O)2	N(CC[5]N)(O)2	C(C[5]N[5]O[5])(NOO)2	N(CC[5]N)(O)2	N(CC[5]N)(O)2	123.5865	0.093	2	123.5865	0.009	2	121.0309	4.899	16	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[5a]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[5a]C[5a]2)(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	C(C[5a]C[5a]2)(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	120.5980	0.000	1	120.5980	0.000	1	121.6543	1.871	32	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[5a]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[5a]C[5a]N[5a])(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	C(C[5a]C[5a]N[5a])(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	121.8142	0.832	13	121.8142	0.692	13	121.6543	1.871	32	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[5a]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[5a]N[5a]2)(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	C(C[5a]N[5a]2)(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	121.1688	1.578	10	121.1688	2.490	10	121.6543	1.871	32	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[5a]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[5a]N[5a]O[5a])(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	C(C[5a]N[5a]O[5a])(NOO)2	N(CC[5a]N)(O)2	N(CC[5a]N)(O)2	122.1335	1.758	8	122.1335	3.091	8	121.6543	1.871	32	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[6]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2)(NHH)2	N(CC[6]N)(H)2	N(CC[6]N)(H)2	C(C[6]C[6]2)(NHH)2	N(CC[6]N)(H)2	N(CC[6]N)(H)2	119.8504	0.635	5	119.8504	0.404	5	119.8504	0.404	5	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[6]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(C[6]N[6]2)(NOO)2	N(CC[6]N)(O)2	N(CC[6]N)(O)2	C(C[6]N[6]2)(NOO)2	N(CC[6]N)(O)2	N(CC[6]N)(O)2	119.4606	3.891	5	119.4606	15.142	5	119.4606	15.142	5	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6,6a]C[6a])(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	C(C[6a]C[6,6a]C[6a])(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	120.9896	0.794	5	120.9896	0.630	5	120.4602	1.357	84	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	120.7465	0.780	12	120.7465	0.608	12	120.4602	1.357	84	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	120.2693	1.167	64	120.2693	1.362	64	120.4602	1.357	84	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	122.5047	0.408	3	122.5047	0.167	3	120.4602	1.357	84	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NCC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NCC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	118.1237	0.800	16	118.1237	0.640	16	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	120.3669	1.398	136	120.3669	1.953	136	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[5]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	118.8770	0.000	1	118.8770	0.000	1	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[5a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[5a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	121.1978	0.851	6	121.1978	0.725	6	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[6]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[6]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	119.7270	0.000	1	119.7270	0.000	1	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	120.6688	1.180	12	120.6688	1.394	12	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NCuC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NCuC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	115.4640	0.000	1	115.4640	0.000	1	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(H)2	N(CNN)(H)2	121.2468	0.727	86	121.2468	0.528	86	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)3	N(CNN)(H)2	N(CNN)(H)2	C(NHH)3	N(CNN)(H)2	N(CNN)(H)2	119.9991	0.978	1557	119.9991	0.956	1557	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NN[5a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NN[5a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	122.5680	0.000	1	122.5680	0.000	1	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NZnC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NZnC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	119.2985	0.025	2	119.2985	0.001	2	120.0749	1.136	1819	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(NOO)3	N(CNN)(O)2	N(CNN)(O)2	C(NOO)3	N(CNN)(O)2	N(CNN)(O)2	119.9371	4.835	29	119.9371	23.381	29	119.9371	23.381	29	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N[5]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(N[5]C[5]2)(NHH)2	N(CN[5]N)(H)2	N(CN[5]N)(H)2	C(N[5]C[5]2)(NHH)2	N(CN[5]N)(H)2	N(CN[5]N)(H)2	119.4800	0.000	1	119.4800	0.000	1	119.4857	0.367	3	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N[5]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(N[5]C[5]N[5])(NHH)2	N(CN[5]N)(H)2	N(CN[5]N)(H)2	C(N[5]C[5]N[5])(NHH)2	N(CN[5]N)(H)2	N(CN[5]N)(H)2	119.4885	0.856	2	119.4885	0.733	2	119.4857	0.367	3	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N[5a]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(N[5a]C[5a]N[5a])(NHH)2	N(CN[5a]N)(H)2	N(CN[5a]N)(H)2	C(N[5a]C[5a]N[5a])(NHH)2	N(CN[5a]N)(H)2	N(CN[5a]N)(H)2	123.7450	0.000	1	123.7450	0.000	1	123.7450	0.000	1	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N[5a]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(N[5a]C[5a]N[5a])(NOO)2	N(CN[5a]N)(O)2	N(CN[5a]N)(O)2	C(N[5a]C[5a]N[5a])(NOO)2	N(CN[5a]N)(O)2	N(CN[5a]N)(O)2	123.8872	0.455	6	123.8872	0.207	6	124.4649	0.903	9	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N[5a]-3:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(N[5a]N[5a]2)(NOO)2	N(CN[5a]N)(O)2	N(CN[5a]N)(O)2	C(N[5a]N[5a]2)(NOO)2	N(CN[5a]N)(O)2	N(CN[5a]N)(O)2	125.6203	0.304	3	125.6203	0.093	3	124.4649	0.903	9	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	N[6]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(N[6]C[6]2)(NHH)2	N(CN[6]N)(H)2	N(CN[6]N)(H)2	C(N[6]C[6]2)(NHH)2	N(CN[6]N)(H)2	N(CN[6]N)(H)2	117.7620	0.443	3	117.7620	0.196	3	117.7620	0.196	3	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:1:1:	S-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(SCu2)(NHH)2	N(CNS)(H)2	N(CNS)(H)2	C(SCu2)(NHH)2	N(CNS)(H)2	N(CNS)(H)2	118.9218	1.625	5	118.9218	2.640	5	118.9218	2.640	5	120.1049	1.780	2040	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCC)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	C(NCC)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	119.6114	1.029	8	119.6114	1.059	8	118.6909	6.689	73	118.6909	6.689	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)2(H)	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)2(H)	118.9622	2.561	52	118.9622	6.560	52	118.6909	6.689	73	118.6909	6.689	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	C(NC[6a]H)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	120.8148	0.473	4	120.8148	0.224	4	118.6909	6.689	73	118.6909	6.689	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCuH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	C(NCuH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	113.5300	0.195	2	113.5300	0.038	2	118.6909	6.689	73	118.6909	6.689	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NMnH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	C(NMnH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	116.0180	0.468	6	116.0180	0.219	6	118.6909	6.689	73	118.6909	6.689	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NNiH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	C(NNiH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	115.0830	0.000	1	115.0830	0.000	1	118.6909	6.689	73	118.6909	6.689	73	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	C-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(CNN)(NHH)(NHN)	N(CCN)(NC)(H)	N(CCN)(H)2	C(CNN)(NHH)(NHN)	N(CCN)(NC)(H)	N(CCN)(H)2	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	C-3:N-3:N-3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(CNN)(NHH)(NHO)	N(CCN)(OH)(H)	N(CCN)(H)2	C(CNN)(NHH)(NHO)	N(CCN)(OH)(H)	N(CCN)(H)2	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NC)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NC)(H)	N(CC[6a]N)(H)2	121.3840	0.136	2	121.3840	0.018	2	121.3840	0.018	2	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NHO)	N(CC[6a]N)(OH)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NHO)	N(CC[6a]N)(OH)(H)	N(CC[6a]N)(H)2	120.7760	0.000	1	120.7760	0.000	1	120.7760	0.000	1	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NHN)	N(CNN)(NC)(H)	N(CNN)(H)2	C(NCH)(NHH)(NHN)	N(CNN)(NC)(H)	N(CNN)(H)2	118.3710	0.147	2	118.3710	0.022	2	119.4014	2.032	69	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)2	N(CNN)(NC)(H)	N(CNN)(H)2	C(NHH)(NHN)2	N(CNN)(NC)(H)	N(CNN)(H)2	122.0415	0.757	6	122.0415	0.573	6	119.4014	2.032	69	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(NC)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(NC)(H)	N(CNN)(H)2	119.1545	1.242	57	119.1545	1.541	57	119.4014	2.032	69	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(NH)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(NH)(H)	N(CNN)(H)2	119.4742	0.711	4	119.4742	0.505	4	119.4014	2.032	69	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	N-3:N-3:N-3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(NOsH)(NHH)(NHO)	N(CNN)(OH)(H)	N(CNN)(H)2	C(NOsH)(NHH)(NHO)	N(CNN)(OH)(H)	N(CNN)(H)2	116.6520	0.000	1	116.6520	0.000	1	116.6520	0.000	1	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:1:1:	S-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(SCu2)(NHH)(NHN)	N(CNS)(NC)(H)	N(CNS)(H)2	C(SCu2)(NHH)(NHN)	N(CNS)(NC)(H)	N(CNS)(H)2	119.2160	0.473	3	119.2160	0.223	3	119.2160	0.223	3	119.4494	2.192	78	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:2:1:	N-3:N-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C(NHH)(NHN)2	N(CNN)(NC)(H)	N(CNN)(NC)(H)	C(NHH)(NHN)2	N(CNN)(NC)(H)	N(CNN)(NC)(H)	115.8767	0.547	3	115.8767	0.300	3	119.3108	4.734	18	119.3108	4.734	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:2:1:	3:2:1:	N-3:N-3:N-3:	C-3:N-2:H-1:	C-3:N-2:H-1:	C(NHN)3	N(CNN)(NC)(H)	N(CNN)(NC)(H)	C(NHN)3	N(CNN)(NC)(H)	N(CNN)(NC)(H)	119.9977	1.635	15	119.9977	2.673	15	119.3108	4.734	18	119.3108	4.734	18	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCC)(NCH)(NHH)	N(CCN)(COO)(H)	N(CCN)(H)2	C(CCC)(NCH)(NHH)	N(CCN)(COO)(H)	N(CCN)(H)2	116.0180	0.000	1	116.0180	0.000	1	118.0247	2.133	4	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NCH)(NHH)	N(CCN)(CNO)(H)	N(CCN)(H)2	C(CCH)(NCH)(NHH)	N(CCN)(CNO)(H)	N(CCN)(H)2	119.2800	0.000	1	119.2800	0.000	1	118.0247	2.133	4	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CNN)(NCH)(NHH)	N(CCN)(CCO)(H)	N(CCN)(H)2	C(CNN)(NCH)(NHH)	N(CCN)(CCO)(H)	N(CCN)(H)2	118.4005	0.716	2	118.4005	0.513	2	118.0247	2.133	4	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NCH)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NCH)(H)	N(CC[6a]N)(H)2	121.8460	0.000	1	121.8460	0.000	1	121.9985	0.047	2	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NHH)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NHH)(H)	N(CC[6a]N)(H)2	122.1510	0.000	1	122.1510	0.000	1	121.9985	0.047	2	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:O-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(NHO)	N(CC[6a]N)(OZn2)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)(NHO)	N(CC[6a]N)(OZn2)(H)	N(CC[6a]N)(H)2	118.7145	0.810	2	118.7145	0.656	2	118.7145	0.656	2	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	N(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]N)(H)2	123.5810	0.000	1	123.5810	0.000	1	122.5170	2.264	2	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NC[6a]H)(NHH)	N(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(CC[6a]N)(H)2	121.4530	0.000	1	121.4530	0.000	1	122.5170	2.264	2	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CCO)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CCO)(CNN)(H)	N(CNN)(H)2	118.4780	3.698	3	118.4780	13.676	3	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CC[5a]O)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CC[5a]O)(CNN)(H)	N(CNN)(H)2	119.4455	4.101	2	119.4455	16.814	2	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CC[6a]O)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CC[6a]O)(CNN)(H)	N(CNN)(H)2	119.1567	2.192	6	119.1567	4.807	6	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CNN)(CNO)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CNN)(CNO)(H)	N(CNN)(H)2	119.2731	2.714	40	119.2731	7.369	40	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CNN)(CNS)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CNN)(CNS)(H)	N(CNN)(H)2	119.6206	3.318	34	119.6206	11.007	34	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CNN)(COO)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CNN)(COO)(H)	N(CNN)(H)2	118.9840	2.762	4	118.9840	7.629	4	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CN[6]N)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CN[6]N)(CNN)(H)	N(CNN)(H)2	119.4980	2.737	2	119.4980	7.488	2	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)2(NHH)	N(CC[6a]O)(CNN)(H)	N(CNN)(H)2	C(NCH)2(NHH)	N(CC[6a]O)(CNN)(H)	N(CNN)(H)2	121.5880	0.000	1	121.5880	0.000	1	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NCH)(NHH)	N(CNN)(CNO)(H)	N(CNN)(H)2	C(NC[6a]H)(NCH)(NHH)	N(CNN)(CNO)(H)	N(CNN)(H)2	120.9650	0.000	1	120.9650	0.000	1	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCuC)(NCH)(NHH)	N(CNN)(CNO)(H)	N(CNN)(H)2	C(NCuC)(NCH)(NHH)	N(CNN)(CNO)(H)	N(CNN)(H)2	113.3490	0.491	8	113.3490	0.241	8	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCuH)(NCH)(NHH)	N(CNN)(CNO)(H)	N(CNN)(H)2	C(NCuH)(NCH)(NHH)	N(CNN)(CNO)(H)	N(CNN)(H)2	114.6710	0.000	1	114.6710	0.000	1	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NPtH)(NCH)(NHH)	N(CN[6]N)(CNN)(H)	N(CNN)(H)2	C(NPtH)(NCH)(NHH)	N(CN[6]N)(CNN)(H)	N(CNN)(H)2	114.5100	0.000	1	114.5100	0.000	1	118.8422	10.502	103	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(H)2	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(H)2	120.4538	0.900	47	120.4538	0.810	47	119.7779	1.359	149	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(NCH)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(NCH)(H)	N(CNN)(H)2	119.3218	1.591	10	119.3218	2.532	10	119.7779	1.359	149	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(NHH)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(NHH)(H)	N(CNN)(H)2	119.5161	1.053	91	119.5161	1.109	91	119.7779	1.359	149	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NOsH)(NHH)(NHN)	N(CNN)(NHH)(H)	N(CNN)(H)2	C(NOsH)(NHH)(NHN)	N(CNN)(NHH)(H)	N(CNN)(H)2	116.3910	0.000	1	116.3910	0.000	1	119.7779	1.359	149	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NCoH)(NHH)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	C(NC[5]H)(NCoH)(NHH)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	114.3280	0.000	1	114.3280	0.000	1	113.9742	0.068	4	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NCuH)(NHH)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	C(NC[5]H)(NCuH)(NHH)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	113.8500	0.000	1	113.8500	0.000	1	113.9742	0.068	4	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NRuH)(NHH)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	C(NC[5]H)(NRuH)(NHH)	N(C[5]N[5]2)(CNN)(H)	N(CNN)(H)2	113.7240	0.000	1	113.7240	0.000	1	113.9742	0.068	4	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NRuH)(NHH)	N(C[5]N[5]S[5])(CNN)(H)	N(CNN)(H)2	C(NC[5]H)(NRuH)(NHH)	N(C[5]N[5]S[5])(CNN)(H)	N(CNN)(H)2	113.9950	0.000	1	113.9950	0.000	1	113.9742	0.068	4	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5a]H)(NHH)2	N(C[5a]N[5a]2)(CNN)(H)	N(CNN)(H)2	C(NC[5a]H)(NHH)2	N(C[5a]N[5a]2)(CNN)(H)	N(CNN)(H)2	119.1202	1.071	4	119.1202	1.148	4	119.3907	3.673	12	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5a]H)(NHH)2	N(C[5a]N[5a]O[5a])(CNN)(H)	N(CNN)(H)2	C(NC[5a]H)(NHH)2	N(C[5a]N[5a]O[5a])(CNN)(H)	N(CNN)(H)2	118.9235	2.734	2	118.9235	7.477	2	119.3907	3.673	12	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[5a]H)(NHH)2	N(C[5a]N[5a]S[5a])(CNN)(H)	N(CNN)(H)2	C(NC[5a]H)(NHH)2	N(C[5a]N[5a]S[5a])(CNN)(H)	N(CNN)(H)2	119.7267	2.370	6	119.7267	5.616	6	119.3907	3.673	12	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6]H)(NHH)2	N(C[6]C[6]2)(CNN)(H)	N(CNN)(H)2	C(NC[6]H)(NHH)2	N(C[6]C[6]2)(CNN)(H)	N(CNN)(H)2	120.1335	1.692	2	120.1335	2.863	2	120.1335	2.863	2	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	123.3148	0.575	5	123.3148	0.331	5	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(C[6a]C[6,6a]C[6a])(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(C[6a]C[6,6a]C[6a])(CNN)(H)	N(CNN)(H)2	118.1875	0.992	2	118.1875	0.984	2	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	N(CNN)(H)2	120.2060	1.959	2	120.2060	3.836	2	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	119.7818	1.563	13	119.7818	2.443	13	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]N[6a])(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]N[6a])(CNN)(H)	N(CNN)(H)2	119.7930	2.299	6	119.7930	5.287	6	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(C[6a]N[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(C[6a]N[6a]2)(CNN)(H)	N(CNN)(H)2	119.2075	4.166	2	119.2075	17.352	2	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	120.9433	1.293	20	120.9433	1.672	20	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]N[6a])(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]N[6a])(CNN)(H)	N(CNN)(H)2	122.6238	0.645	8	122.6238	0.416	8	120.8199	3.711	58	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(NC[5]H)(CNN)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(NC[5]H)(CNN)(H)	N(CNN)(H)2	119.5390	2.300	2	119.5390	5.288	2	118.8740	3.971	3	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NNiN)(NHH)(NHN)	N(NNiH)(CNN)(H)	N(CNN)(H)2	C(NNiN)(NHH)(NHN)	N(NNiH)(CNN)(H)	N(CNN)(H)2	117.5440	0.000	1	117.5440	0.000	1	118.8740	3.971	3	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	N[5a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NN[5a]H)(NHH)2	N(N[5a]C[5a]2)(CNN)(H)	N(CNN)(H)2	C(NN[5a]H)(NHH)2	N(N[5a]C[5a]2)(CNN)(H)	N(CNN)(H)2	118.6570	3.253	2	118.6570	10.580	2	118.6570	10.580	2	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	N[6]-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(N[6]C[6]2)(NCH)(NHH)	N(CN[6]N)(CNN)(H)	N(CN[6]N)(H)2	C(N[6]C[6]2)(NCH)(NHH)	N(CN[6]N)(CNN)(H)	N(CN[6]N)(H)2	118.8520	0.000	1	118.8520	0.000	1	118.8520	0.000	1	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	S-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(SCu2)(NHH)(NHN)	N(CNS)(NHH)(H)	N(CNS)(H)2	C(SCu2)(NHH)(NHN)	N(CNS)(NHH)(H)	N(CNS)(H)2	119.0370	0.000	1	119.0370	0.000	1	119.0370	0.000	1	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:1:1:	S-3:N-3:N-3:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(SZn2)(NHH)(NHN)	N(NZnC)(CNS)(H)	N(CNS)(H)2	C(SZn2)(NHH)(NHN)	N(NZnC)(CNS)(H)	N(CNS)(H)2	116.6300	0.000	1	116.6300	0.000	1	116.6300	0.000	1	119.5695	5.466	346	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:2:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:N-2:H-1:	C(NHN)3	N(CNN)(NHH)(H)	N(CNN)(NH)(H)	C(NHN)3	N(CNN)(NHH)(H)	N(CNN)(NH)(H)	120.5915	0.511	2	120.5915	0.261	2	120.5915	0.261	2	120.5915	0.261	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)2	N(C[6a]C[6a]2)(CC[6]N)(H)	N(C[6a]C[6a]2)(CC[6]N)(H)	C(C[6]C[6]2)(NC[6a]H)2	N(C[6a]C[6a]2)(CC[6]N)(H)	N(C[6a]C[6a]2)(CC[6]N)(H)	123.2370	0.000	1	123.2370	0.000	1	123.2370	0.000	1	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)2	N(C[6a]C[6a]2)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]H)2	N(C[6a]C[6a]2)(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]N)(H)	119.7752	3.372	4	119.7752	11.370	4	119.7752	11.370	4	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	119.2309	1.041	23	119.2309	1.083	23	119.7279	0.777	78	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(NHN)3	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	C(NHN)3	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	119.9357	0.720	55	119.9357	0.518	55	119.7279	0.777	78	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(CNO)(H)	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(CNO)(H)	116.6400	0.000	1	116.6400	0.000	1	116.2304	2.443	7	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)2(H)	C(NC[6a]H)(NCH)(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)2(H)	115.5315	0.613	4	115.5315	0.375	4	116.2304	2.443	7	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(NC[6a]H)2(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]O)(CNN)(H)	C(NC[6a]H)2(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]O)(CNN)(H)	117.4235	2.927	2	117.4235	8.566	2	116.2304	2.443	7	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6]C[6]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)(NC[6]H)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6]C[6]2)(CNN)(H)	117.5210	0.000	1	117.5210	0.000	1	117.5210	0.000	1	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NCH)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	125.1340	0.000	1	125.1340	0.000	1	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	118.1111	1.892	10	118.1111	3.581	10	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]N[6a])(CNN)(H)	N(C[6a]C[6a]N[6a])(CNN)(H)	C(NC[6a]H)2(NHH)	N(C[6a]C[6a]N[6a])(CNN)(H)	N(C[6a]C[6a]N[6a])(CNN)(H)	114.7498	0.833	4	114.7498	0.694	4	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NOsC)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NOsC)	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	118.3300	1.072	2	118.3300	1.149	2	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)3	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)3	N(C[6a]C[6a,6a]C[6a])(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	118.8855	1.334	2	118.8855	1.780	2	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)3	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)3	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	120.1152	2.660	19	120.1152	7.075	19	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pd)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	117.2221	1.659	33	117.2221	2.752	33	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]Pt)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]Pt)(NC[6a]H)2	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	118.7775	1.857	11	118.7775	3.449	11	118.2530	6.032	82	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:S-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(SCu2)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(SCu2)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	118.8295	0.950	2	118.8295	0.902	2	118.8295	0.902	2	118.8951	4.365	175	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6]2)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]N)(H)	N(CC[6]N)(CH3)2	C(C[6]C[6]2)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]N)(H)	N(CC[6]N)(CH3)2	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	118.7560	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:3:1:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	N(CCHH)(CCN)(H)	C(CC[6a]C)(NC[6a]H)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	N(CCHH)(CCN)(H)	122.2120	0.000	1	122.2120	0.000	1	122.2120	0.000	1	119.6468	4.154	36	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:3:1:	N-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	N(CC3)(CCN)(H)	C(NC[6a]H)(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	N(CC3)(CCN)(H)	120.6070	4.605	2	120.6070	21.203	2	120.6070	21.203	2	119.6468	4.154	36	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:3:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NHH)	N(CC[6a]O)(CNN)(H)	N(CCHH)(CNN)(H)	C(NCH)2(NHH)	N(CC[6a]O)(CNN)(H)	N(CCHH)(CNN)(H)	115.7730	0.000	1	115.7730	0.000	1	115.7730	0.000	1	119.6468	4.154	36	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:3:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	N-4:C-3:H-1:	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(NH3)(CNN)(H)	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(NH3)(CNN)(H)	117.3540	0.000	1	117.3540	0.000	1	117.3540	0.000	1	119.6468	4.154	36	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)2	N(C[6a]C[6a]2)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a]H)(NCH)2	N(C[6a]C[6a]2)(CNN)(H)	N(CCCH)(CNN)(H)	119.5773	1.731	26	119.5773	2.995	26	119.5773	2.995	26	119.6468	4.154	36	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:3:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)2	N(C[6a]C[6a]2)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6a]H)(NC[6]H)2	N(C[6a]C[6a]2)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	120.3072	2.452	4	120.3072	6.010	4	120.3072	6.010	4	119.6468	4.154	36	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:3:1:	S-3:N-3:N-3:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(SRu2)(NCH)(NHN)	N(NRuC)(CNS)(H)	N(CH3)(CNS)(H)	C(SRu2)(NCH)(NHN)	N(NRuC)(CNS)(H)	N(CH3)(CNS)(H)	120.4930	0.000	1	120.4930	0.000	1	120.4930	0.000	1	119.6468	4.154	36	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(NCH)	N(CC[6a]O)(CCN)(H)	N(CH3)2(CCN)	C(CCH)(NCC)(NCH)	N(CC[6a]O)(CCN)(H)	N(CH3)2(CCN)	118.0310	0.000	1	118.0310	0.000	1	118.0310	0.000	1	117.9610	2.366	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:4:3:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NPtH)(NCC)(NCH)	N(CC[6a]N)(CNN)(H)	N(CH3)2(CNN)	C(NPtH)(NCC)(NCH)	N(CC[6a]N)(CNN)(H)	N(CH3)2(CNN)	116.5303	1.037	3	116.5303	1.076	3	116.5303	1.076	3	117.9610	2.366	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:1:	4:4:3:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)2	N(C[6a]C[6a]2)(CNN)(H)	N(CH3)2(CNN)	C(NC[6a]H)(NCC)2	N(C[6a]C[6a]2)(CNN)(H)	N(CH3)2(CNN)	119.0165	1.126	4	119.0165	1.269	4	119.0165	1.269	4	117.9610	2.366	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:C-3:N-3:	C-3:O-1:O-1:	C(CC[5a]H)(NCN)(NOO)	N(CCN)(COO)(NCH)	N(CCN)(O)2	C(CC[5a]H)(NCN)(NOO)	N(CCN)(COO)(NCH)	N(CCN)(O)2	114.0270	0.000	1	114.0270	0.000	1	113.7800	0.707	4	114.4874	0.754	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:C-3:N-3:	C-3:O-1:O-1:	C(CC[6]H)(NCN)(NOO)	N(CCN)(COO)(NCH)	N(CCN)(O)2	C(CC[6]H)(NCN)(NOO)	N(CCN)(COO)(NCH)	N(CCN)(O)2	112.5550	0.000	1	112.5550	0.000	1	113.7800	0.707	4	114.4874	0.754	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:C-3:N-3:	C-3:O-1:O-1:	C(CC[6a]H)(NCN)(NOO)	N(CCN)(COO)(NCC)	N(CCN)(O)2	C(CC[6a]H)(NCN)(NOO)	N(CCN)(COO)(NCC)	N(CCN)(O)2	114.2690	0.286	2	114.2690	0.082	2	113.7800	0.707	4	114.4874	0.754	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CNN)2	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CNN)2	N(CNN)(H)2	115.1385	0.364	2	115.1385	0.133	2	114.7050	0.610	13	114.4874	0.754	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	N(CNN)(H)2	114.6262	0.821	11	114.6262	0.674	11	114.7050	0.610	13	114.4874	0.754	17	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	4:4:3:	N-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(NC[6a]2)(CCO)(NCC)	N(C[6a]C[6a]2)2(CCN)	N(CCCH)2(CCN)	C(NC[6a]2)(CCO)(NCC)	N(C[6a]C[6a]2)2(CCN)	N(CCCH)2(CCN)	117.5165	0.333	2	117.5165	0.111	2	117.5165	0.111	2	117.1541	3.478	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	4:4:3:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Al)(NC[6a]C)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CCHH)2(CNN)	C(NC[6a]Al)(NC[6a]C)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CCHH)2(CNN)	117.0180	0.000	1	117.0180	0.000	1	117.0092	5.098	5	117.1541	3.478	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	4:4:3:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CCHH)2(CNN)	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CCHH)2(CNN)	115.0790	0.000	1	115.0790	0.000	1	117.0092	5.098	5	117.1541	3.478	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:3:3:	4:4:3:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CH3)2(CNN)	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CH3)2(CNN)	117.6497	2.778	3	117.6497	7.718	3	117.0092	5.098	5	117.1541	3.478	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:B-4:H-1:	C-3:H-1:H-1:	C(C[6a]N[6a]2)(NBH)(NHH)	N(CC[6a]N)(BF3)(H)	N(CC[6a]N)(H)2	C(C[6a]N[6a]2)(NBH)(NHH)	N(CC[6a]N)(BF3)(H)	N(CC[6a]N)(H)2	124.0350	0.000	1	124.0350	0.000	1	124.0350	0.000	1	123.1480	2.022	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:C-4:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	N(CC[6a]N)(CCCH)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a,6a]C[6a])(NCH)(NHH)	N(CC[6a]N)(CCCH)(H)	N(CC[6a]N)(H)2	121.5080	0.000	1	121.5080	0.000	1	122.7045	2.863	2	123.1480	2.022	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:C-4:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NCH)(NHH)	N(CC[6a]N)(CC3)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCH)(NHH)	N(CC[6a]N)(CC3)(H)	N(CC[6a]N)(H)2	123.9010	0.000	1	123.9010	0.000	1	122.7045	2.863	2	123.1480	2.022	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:4:1:	C[6]-3:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2)(NCH)2	N(CC[6]N)(CH3)(H)	N(CC[6]N)(CH3)(H)	C(C[6]C[6]2)(NCH)2	N(CC[6]N)(CH3)(H)	N(CC[6]N)(CH3)(H)	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	120.3501	6.921	9	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]N)(CC3)(H)	N(CC[6a]N)(CC3)(H)	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]N)(CC3)(H)	N(CC[6a]N)(CC3)(H)	116.3400	0.000	1	116.3400	0.000	1	120.0026	3.785	7	120.3501	6.921	9	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]N)(CCCH)(H)	N(CC[6a]N)(CCCH)(H)	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]N)(CCCH)(H)	N(CC[6a]N)(CCCH)(H)	120.5130	0.291	3	120.5130	0.084	3	120.0026	3.785	7	120.3501	6.921	9	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]N)(CCHH)(H)	N(CC[6a]N)(CCHH)(H)	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]N)(CCHH)(H)	N(CC[6a]N)(CCHH)(H)	120.7130	1.848	3	120.7130	3.414	3	120.0026	3.785	7	120.3501	6.921	9	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:1:	3:4:1:	N[6a]-3:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(N[6a]C[6a]N[6a])(NCH)2	N(CN[6a]N)(CCHH)(H)	N(CN[6a]N)(CCHH)(H)	C(N[6a]C[6a]N[6a])(NCH)2	N(CN[6a]N)(CCHH)(H)	N(CN[6a]N)(CCHH)(H)	125.3650	0.000	1	125.3650	0.000	1	125.3650	0.000	1	120.3501	6.921	9	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:	C(NC[6a]C)2(NHH)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CNN)(H)2	C(NC[6a]C)2(NHH)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CNN)(H)2	119.2527	0.695	4	119.2527	0.484	4	119.2527	0.484	4	119.2527	0.484	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	3:3:1:	N-3:N-3:C-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(CH3)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]C)(NC[6a]H)(CCN)	N(C[6a]C[6a]2)(CH3)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	3:4:3:	N-3:N-3:N-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	119.5620	0.438	2	119.5620	0.192	2	120.5122	1.316	4	120.5122	1.316	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	3:4:3:	N-3:N-3:N-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NHH)	N(C[6a]C[6a]2)(CH3)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)2(NHH)	N(C[6a]C[6a]2)(CH3)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	121.4625	0.380	2	121.4625	0.144	2	120.5122	1.316	4	120.5122	1.316	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	4:3:1:	N-3:N-3:N-3:	C[6a]-3:B-4:C-3:	C-4:C-3:H-1:	C(NC[6a]B)(NCH)2	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a]B)(NCH)2	N(C[6a]C[6a]2)(BC[6a]3)(CNN)	N(CCCH)(CNN)(H)	120.7790	0.888	2	120.7790	0.789	2	120.7790	0.789	2	119.0017	9.871	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	4:3:1:	N-3:N-3:N-3:	C[6a]-3:N-4:C-3:	C-4:C-3:H-1:	C(NC[6a]N)(NLiC)(NCH)	N(C[6a]C[6a]2)(NC[6a]Li2)(CNN)	N(CCCH)(CNN)(H)	C(NC[6a]N)(NLiC)(NCH)	N(C[6a]C[6a]2)(NC[6a]Li2)(CNN)	N(CCCH)(CNN)(H)	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	119.0017	9.871	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	4:4:3:	N-3:N-3:N-3:	C[6a]-3:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NCC)2	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	N(CH3)2(CNN)	C(NC[6a]C)(NCC)2	N(C[6a]C[6a]2)(CC[6a]HH)(CNN)	N(CH3)2(CNN)	119.8045	0.313	2	119.8045	0.098	2	120.0633	4.403	6	120.0633	4.403	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:3:	4:4:3:	N-3:N-3:N-3:	C[6a]-3:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CH3)2(CNN)	C(NC[6a]C)2(NCC)	N(C[6a]C[6a]2)(CH3)(CNN)	N(CH3)2(CNN)	120.1928	2.691	4	120.1928	7.239	4	120.0633	4.403	6	120.0633	4.403	6	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:4:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:C-4:C-4:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NCC)(NHH)	N(CC[6a]N)(CH3)2	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NCC)(NHH)	N(CC[6a]N)(CH3)2	N(CC[6a]N)(H)2	121.7977	1.337	3	121.7977	1.788	3	121.7977	1.788	3	121.7977	1.788	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:4:	3:4:4:	C[6a]-3:N-3:N-3:	C-3:C-4:C-4:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)2	N(CC[6a]N)(CCCH)(CH3)	N(CC[6a]N)(CCCH)(CH3)	C(C[6a]C[6a]2)(NCC)2	N(CC[6a]N)(CCCH)(CH3)	N(CC[6a]N)(CCCH)(CH3)	116.5772	4.599	4	116.5772	21.153	4	117.3904	19.171	5	115.3601	19.225	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:4:	3:4:4:	C[6a]-3:N-3:N-3:	C-3:C-4:C-4:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(NCC)2	N(CC[6a]N)(CCHH)2	N(CC[6a]N)(CCHH)2	C(C[6a]C[6a]2)(NCC)2	N(CC[6a]N)(CCHH)2	N(CC[6a]N)(CCHH)2	120.6430	0.000	1	120.6430	0.000	1	117.3904	19.171	5	115.3601	19.225	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	3:4:4:	3:4:4:	N[6,6]-3:N-3:N-3:	C-3:C-4:C-4:	C-3:C-4:C-4:	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	N(CN[6,6]N)(CH3)2	N(CN[6,6]N)(CH3)2	C(N[6,6]Ga[5x6]Ga[6,6])(NCC)2	N(CN[6,6]N)(CH3)2	N(CN[6,6]N)(CH3)2	111.9763	1.211	3	111.9763	1.466	3	111.9763	1.466	3	115.3601	19.225	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NHN)	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NHN)	N(CCHH)(CNN)(H)	N(CNN)(H)2	121.7160	0.867	2	121.7160	0.752	2	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CCCH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CCCH)(CNN)(H)	N(CNN)(H)2	120.4580	1.925	4	120.4580	3.706	4	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CCHH)(CNN)(H)	N(CNN)(H)2	120.4620	1.377	109	120.4620	1.897	109	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	N(CNN)(H)2	120.2170	0.938	2	120.2170	0.879	2	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CC[5x3,5x5,20x6]HH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CC[5x3,5x5,20x6]HH)(CNN)(H)	N(CNN)(H)2	120.3270	3.851	2	120.3270	14.829	2	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CC[6]HH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CC[6]HH)(CNN)(H)	N(CNN)(H)2	119.6898	2.183	4	119.6898	4.766	4	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CC[6a]HH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CC[6a]HH)(CNN)(H)	N(CNN)(H)2	120.5730	1.253	5	120.5730	1.571	5	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CH3)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CH3)(CNN)(H)	N(CNN)(H)2	120.0991	1.118	10	120.0991	1.249	10	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)2(NHH)	N(CCCH)(CNN)(H)	N(CNN)(H)2	C(NCH)2(NHH)	N(CCCH)(CNN)(H)	N(CNN)(H)2	118.1030	0.000	1	118.1030	0.000	1	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)2(NHH)	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)2(NHH)	N(CCHH)(CNN)(H)	N(CNN)(H)2	121.4910	1.588	4	121.4910	2.523	4	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)2(NHH)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	N(CNN)(H)2	C(NCH)2(NHH)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	N(CNN)(H)2	119.2710	0.000	1	119.2710	0.000	1	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)2(NHH)	N(CC[6a]HH)(CNN)(H)	N(CNN)(H)2	C(NCH)2(NHH)	N(CC[6a]HH)(CNN)(H)	N(CNN)(H)2	119.8987	1.226	3	119.8987	1.504	3	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NZnH)(NCH)(NHH)	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NZnH)(NCH)(NHH)	N(CCHH)(CNN)(H)	N(CNN)(H)2	116.4590	0.000	1	116.4590	0.000	1	120.3975	2.105	148	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C[5]-4:C-3:H-1:	C-3:H-1:H-1:	C(NC[5]H)(NHH)2	N(C[5]C[5,5]C[5]H)(CNN)(H)	N(CNN)(H)2	C(NC[5]H)(NHH)2	N(C[5]C[5,5]C[5]H)(CNN)(H)	N(CNN)(H)2	120.5455	2.538	2	120.5455	6.440	2	120.5455	6.440	2	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NCoN)(NHH)(NHN)	N(NCoHH)(CNN)(H)	N(CNN)(H)2	C(NCoN)(NHH)(NHN)	N(NCoHH)(CNN)(H)	N(CNN)(H)2	118.1043	0.226	3	118.1043	0.051	3	118.4128	1.185	6	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)2	N(NH3)(CNN)(H)	N(CNN)(H)2	C(NHH)(NHN)2	N(NH3)(CNN)(H)	N(CNN)(H)2	120.5700	0.000	1	120.5700	0.000	1	118.4128	1.185	6	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NNiN)(NHH)(NHN)	N(NNiHH)(CNN)(H)	N(CNN)(H)2	C(NNiN)(NHH)(NHN)	N(NNiHH)(CNN)(H)	N(CNN)(H)2	117.7970	0.354	2	117.7970	0.125	2	118.4128	1.185	6	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:1:1:	S-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(SCu2)(NCH)(NHH)	N(CCHH)(CNS)(H)	N(CNS)(H)2	C(SCu2)(NCH)(NHH)	N(CCHH)(CNS)(H)	N(CNS)(H)2	121.4370	0.000	1	121.4370	0.000	1	121.4370	0.000	1	120.3301	2.217	157	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:2:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHH)(NHN)	N(CCHH)(CNN)(H)	N(CNN)(NC)(H)	C(NCH)(NHH)(NHN)	N(CCHH)(CNN)(H)	N(CNN)(NC)(H)	119.8995	0.736	2	119.8995	0.542	2	119.8995	0.542	2	119.3293	1.246	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:2:1:	S-3:N-3:N-3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(SAg2)(NCH)(NHN)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	C(SAg2)(NCH)(NHN)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	118.1890	0.000	1	118.1890	0.000	1	118.1890	0.000	1	119.3293	1.246	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCuH)(NCH)2	N(CCHH)(CNN)(H)	N(CNN)(CNO)(H)	C(NCuH)(NCH)2	N(CCHH)(CNN)(H)	N(CNN)(CNO)(H)	112.3595	1.114	4	112.3595	1.242	4	112.4396	0.608	8	114.1766	13.970	10	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(NCuH)(NCH)2	N(CH3)(CNN)(H)	N(CNN)(CNO)(H)	C(NCuH)(NCH)2	N(CH3)(CNN)(H)	N(CNN)(CNO)(H)	112.5198	0.400	4	112.5198	0.160	4	112.4396	0.608	8	114.1766	13.970	10	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	3:3:1:	S-3:N-3:N-3:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(SRu2)(NCH)(NHN)	N(CCHH)(CNS)(H)	N(NRuC)(CNS)(H)	C(SRu2)(NCH)(NHN)	N(CCHH)(CNS)(H)	N(NRuC)(CNS)(H)	121.1245	0.889	2	121.1245	0.790	2	121.1245	0.790	2	114.1766	13.970	10	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	C-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCC)(NCH)2	N(CCCH)(CCN)(H)	N(CCCH)(CCN)(H)	C(CCC)(NCH)2	N(CCCH)(CCN)(H)	N(CCCH)(CCN)(H)	119.4220	0.000	1	119.4220	0.000	1	119.9988	5.307	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	C-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)2	N(CCHH)(CCN)(H)	N(CCHH)(CCN)(H)	C(CCH)(NCH)2	N(CCHH)(CCN)(H)	N(CCHH)(CCN)(H)	120.2520	0.508	2	120.2520	0.258	2	119.9988	5.307	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	C-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCN)(NCH)2	N(CH3)(CCN)(H)	N(CH3)(CCN)(H)	C(CCN)(NCH)2	N(CH3)(CCN)(H)	N(CH3)(CCN)(H)	123.0420	0.000	1	123.0420	0.000	1	119.9988	5.307	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	C-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)2	N(CCCH)(CCN)(H)	N(CCCH)(CCN)(H)	C(CC[6a]C)(NCH)2	N(CCCH)(CCN)(H)	N(CCCH)(CCN)(H)	116.0490	0.000	1	116.0490	0.000	1	119.9988	5.307	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	C-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CHN)(NCH)2	N(CCHH)(CCN)(H)	N(CH3)(CCN)(H)	C(CHN)(NCH)2	N(CCHH)(CCN)(H)	N(CH3)(CCN)(H)	120.9760	0.000	1	120.9760	0.000	1	119.9988	5.307	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]CH)(CC[6a]N)(H)	N(CC[6a]CH)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NCH)2	N(CC[6a]CH)(CC[6a]N)(H)	N(CC[6a]CH)(CC[6a]N)(H)	118.8810	0.132	2	118.8810	0.017	2	118.8810	0.017	2	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NHH)	N(CCCH)(CNN)(H)	N(CCHH)(CNN)(H)	C(NCH)2(NHH)	N(CCCH)(CNN)(H)	N(CCHH)(CNN)(H)	121.8590	0.000	1	121.8590	0.000	1	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NHH)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	N(CCHH)(CNN)(H)	C(NCH)2(NHH)	N(CC[3x3,3x5,12x6]HH)(CNN)(H)	N(CCHH)(CNN)(H)	120.4840	0.000	1	120.4840	0.000	1	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NHH)	N(CC[6a]HH)(CNN)(H)	N(CCHH)(CNN)(H)	C(NCH)2(NHH)	N(CC[6a]HH)(CNN)(H)	N(CCHH)(CNN)(H)	116.8080	0.000	1	116.8080	0.000	1	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(NHH)	N(CC[6a]HH)(CNN)(H)	N(CC[6a]HH)(CNN)(H)	C(NCH)2(NHH)	N(CC[6a]HH)(CNN)(H)	N(CC[6a]HH)(CNN)(H)	120.4110	0.000	1	120.4110	0.000	1	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)3	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NCH)3	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	119.9709	0.628	7	119.9709	0.395	7	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)3	N(CC[6a]2C[5])(CNN)(H)	N(CC[6a]2C[5])(CNN)(H)	C(NCH)3	N(CC[6a]2C[5])(CNN)(H)	N(CC[6a]2C[5])(CNN)(H)	123.9280	0.000	1	123.9280	0.000	1	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)3	N(CC[6a]2C[5])(CNN)(H)	N(CH3)(CNN)(H)	C(NCH)3	N(CC[6a]2C[5])(CNN)(H)	N(CH3)(CNN)(H)	118.0355	1.853	2	118.0355	3.435	2	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[5]Pd)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[5]Pd)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	119.1780	0.250	2	119.1780	0.063	2	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]B)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a]B)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	118.4400	0.000	1	118.4400	0.000	1	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a]H)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	120.8312	1.469	13	120.8312	2.159	13	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]Pd)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a]Pd)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	119.9217	0.451	3	119.9217	0.203	3	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]Pt)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a]Pt)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	117.3760	0.000	1	117.3760	0.000	1	120.1206	2.684	34	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[5]Pd)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[5]Pd)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	117.8500	0.000	1	117.8500	0.000	1	119.0182	1.229	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)3	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]H)3	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	119.9870	0.003	2	119.9870	0.000	2	119.0182	1.229	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]Yb)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6]Yb)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	117.5160	0.000	1	117.5160	0.000	1	119.0182	1.229	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6a]H)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[6a]H)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	119.3845	0.613	2	119.3845	0.376	2	119.0182	1.229	6	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:3:1:	N[6]-3:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(N[6]C[6]2)(NC[6]H)2	N(C[6]C[6]2H)(CN[6]N)(H)	N(C[6]C[6]2H)(CN[6]N)(H)	C(N[6]C[6]2)(NC[6]H)2	N(C[6]C[6]2H)(CN[6]N)(H)	N(C[6]C[6]2H)(CN[6]N)(H)	120.3290	0.000	1	120.3290	0.000	1	120.3290	0.000	1	119.9243	2.706	49	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:4:3:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCC)2(NCH)	N(CCCH)(CNN)(H)	N(CH3)2(CNN)	C(NCC)2(NCH)	N(CCCH)(CNN)(H)	N(CH3)2(CNN)	120.0987	1.418	4	120.0987	2.010	4	119.8325	0.961	32	119.8735	1.173	34	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:4:3:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-4:C-3:	C(NCC)2(NCH)	N(CCHH)(CNN)(H)	N(CH3)2(CNN)	C(NCC)2(NCH)	N(CCHH)(CNN)(H)	N(CH3)2(CNN)	119.7945	0.932	28	119.7945	0.868	28	119.8325	0.961	32	119.8735	1.173	34	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:1:	4:4:3:	N-3:N-3:N-3:	C[5]-4:C-3:H-1:	C-4:C-4:C-3:	C(NC[5]H)(NCC)2	N(C[5]N[5]2H)(CNN)(H)	N(CH3)2(CNN)	C(NC[5]H)(NCC)2	N(C[5]N[5]2H)(CNN)(H)	N(CH3)2(CNN)	120.5285	2.828	2	120.5285	7.996	2	120.5285	7.996	2	119.8735	1.173	34	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-3:C-3:	C-4:C-4:C-3:	C(NCC)3	N(CCHH)(CNN)2	N(CH3)2(CNN)	C(NCC)3	N(CCHH)(CNN)2	N(CH3)2(CNN)	119.3400	1.337	4	119.3400	1.787	4	119.4910	1.538	6	119.3633	1.396	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-3:C-3:	C-4:C-4:C-3:	C(NCC)3	N(CH3)(CNN)(CNO)	N(CH3)2(CNN)	C(NCC)3	N(CH3)(CNN)(CNO)	N(CH3)2(CNN)	119.7930	1.434	2	119.7930	2.056	2	119.4910	1.538	6	119.3633	1.396	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:3:3:	4:4:3:	N-3:N-3:N-3:	C[6]-4:C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]Al)(NC[6]C)(NCC)	N(C[6]C[6]2H)(CNN)2	N(CCHH)2(CNN)	C(NC[6a]Al)(NC[6]C)(NCC)	N(C[6]C[6]2H)(CNN)2	N(CCHH)2(CNN)	118.5970	0.000	1	118.5970	0.000	1	118.5970	0.000	1	119.3633	1.396	7	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NCH)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	C(NCC)(NCH)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	122.6661	1.238	8	122.6661	1.532	8	120.4762	1.643	93	120.4762	1.643	93	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)2	N(CCHH)(CH3)(CNN)	N(CNN)(H)2	C(NCC)(NHH)2	N(CCHH)(CH3)(CNN)	N(CNN)(H)2	121.0910	0.713	6	121.0910	0.509	6	120.4762	1.643	93	120.4762	1.643	93	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)2	N(CH3)2(CNN)	N(CNN)(H)2	C(NCC)(NHH)2	N(CH3)2(CNN)	N(CNN)(H)2	120.9445	0.586	25	120.9445	0.344	25	120.4762	1.643	93	120.4762	1.643	93	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	119.9945	0.819	44	119.9945	0.672	44	120.4762	1.643	93	120.4762	1.643	93	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCoC)(NCC)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	C(NCoC)(NCC)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	121.3330	0.000	1	121.3330	0.000	1	120.4762	1.643	93	120.4762	1.643	93	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NPtH)(NCC)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	C(NPtH)(NCC)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	117.9860	0.944	6	117.9860	0.891	6	120.4762	1.643	93	120.4762	1.643	93	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NZnC)(NCC)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	C(NZnC)(NCC)(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	121.2637	0.325	3	121.2637	0.105	3	120.4762	1.643	93	120.4762	1.643	93	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:3:1:	C-3:N-3:N-3:	C-4:S-4:C-3:	C-3:C-3:H-1:	C(CC[6a]H)(NCH)(NCS)	N(CC[6a]HH)(SC[6a]OO)(CCN)	N(CCN)(CCO)(H)	C(CC[6a]H)(NCH)(NCS)	N(CC[6a]HH)(SC[6a]OO)(CCN)	N(CCN)(CCO)(H)	115.6380	0.000	1	115.6380	0.000	1	115.6380	0.000	1	116.8562	1.447	13	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:3:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(NCC)(NCH)(NHH)	N(CH3)2(CNN)	N(CNN)2(H)	C(NCC)(NCH)(NHH)	N(CH3)2(CNN)	N(CNN)2(H)	117.6098	0.786	8	117.6098	0.618	8	116.9577	1.432	12	116.8562	1.447	13	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:3:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(NCoH)(NCC)(NCH)	N(CH3)2(CNN)	N(CNN)2(H)	C(NCoH)(NCC)(NCH)	N(CH3)2(CNN)	N(CNN)2(H)	115.4030	0.000	1	115.4030	0.000	1	116.9577	1.432	12	116.8562	1.447	13	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:3:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(NCuH)(NCC)(NCH)	N(CH3)2(CNN)	N(CNN)2(H)	C(NCuH)(NCC)(NCH)	N(CH3)2(CNN)	N(CNN)2(H)	115.6230	1.034	2	115.6230	1.069	2	116.9577	1.432	12	116.8562	1.447	13	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	3:3:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(NNiH)(NCC)(NCH)	N(CH3)2(CNN)	N(CNN)2(H)	C(NNiH)(NCC)(NCH)	N(CH3)2(CNN)	N(CNN)2(H)	115.9660	0.000	1	115.9660	0.000	1	116.9577	1.432	12	116.8562	1.447	13	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:3:1:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-3:H-1:	C(CHN)(NCC)(NCH)	N(CC[6a]HH)(CCHH)(CCN)	N(CH3)(CCN)(H)	C(CHN)(NCC)(NCH)	N(CC[6a]HH)(CCHH)(CCN)	N(CH3)(CCN)(H)	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	119.0420	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:3:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-3:C-3:	C(CCN)(NCC)2	N(CC[6a]HH)(CCHH)(CCN)	N(CH3)(CCN)(CCO)	C(CCN)(NCC)2	N(CC[6a]HH)(CCHH)(CCN)	N(CH3)(CCN)(CCO)	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CBrC)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CBrC)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	123.6200	0.000	1	123.6200	0.000	1	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CCN)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CCN)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	121.9540	0.000	1	121.9540	0.000	1	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CCO)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CCO)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	116.0110	0.288	3	116.0110	0.083	3	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CCW)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CCW)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	119.1230	0.000	1	119.1230	0.000	1	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CFeC)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CFeC)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	120.7900	0.000	1	120.7900	0.000	1	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CGaC)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CGaC)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	115.8165	2.326	4	115.8165	5.410	4	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CNN)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CNN)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	125.3972	2.773	14	125.3972	7.690	14	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CSS)(NCC)2	N(CCHH)2(CCN)	N(CCHH)2(CCN)	C(CSS)(NCC)2	N(CCHH)2(CCN)	N(CCHH)2(CCN)	124.5111	1.383	7	124.5111	1.914	7	122.6227	19.163	32	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NAg2)(NCC)2	N(CCHH)2(CNN)	N(CH3)2(CNN)	C(NAg2)(NCC)2	N(CCHH)2(CNN)	N(CH3)2(CNN)	110.4390	0.000	1	110.4390	0.000	1	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NCH)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NCH)	N(CH3)2(CNN)	N(CH3)2(CNN)	120.3234	0.603	16	120.3234	0.363	16	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NCY)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NCY)	N(CH3)2(CNN)	N(CH3)2(CNN)	114.9150	0.556	2	114.9150	0.309	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CH3)2(CNN)	120.0645	1.114	21	120.0645	1.241	21	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)3	N(CCHH)(CH3)(CNN)	N(CH3)2(CNN)	C(NCC)3	N(CCHH)(CH3)(CNN)	N(CH3)2(CNN)	120.0798	0.919	6	120.0798	0.845	6	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)3	N(CCHH)2(CNN)	N(CCHH)2(CNN)	C(NCC)3	N(CCHH)2(CNN)	N(CCHH)2(CNN)	119.9881	0.465	8	119.9881	0.216	8	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)3	N(CCHH)2(CNN)	N(CH3)2(CNN)	C(NCC)3	N(CCHH)2(CNN)	N(CH3)2(CNN)	119.9982	0.714	4	119.9982	0.510	4	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)3	N(CC[6a]HH)(CCHH)(CNN)	N(CH3)2(CNN)	C(NCC)3	N(CC[6a]HH)(CCHH)(CNN)	N(CH3)2(CNN)	119.4150	0.229	2	119.4150	0.052	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)3	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)3	N(CH3)2(CNN)	N(CH3)2(CNN)	120.3997	0.949	9	120.3997	0.900	9	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[5]H)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[5]H)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	118.7550	0.000	1	118.7550	0.000	1	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[5]Zn)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[5]Zn)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	115.0520	0.378	2	115.0520	0.143	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6]Cu)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6]Cu)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	119.5115	2.122	2	119.5115	4.503	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6a]C)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	120.3530	0.000	1	120.3530	0.000	1	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]Cu)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6a]Cu)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	120.5854	1.775	19	120.5854	3.152	19	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6a]H)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	121.9550	0.713	2	121.9550	0.508	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]Ni)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6a]Ni)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	118.3695	1.017	10	118.3695	1.034	10	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a]Zn)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6a]Zn)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	118.4488	0.758	14	118.4488	0.575	14	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCu2)(NCC)2	N(CCHH)2(CNN)	N(CH3)2(CNN)	C(NCu2)(NCC)2	N(CCHH)2(CNN)	N(CH3)2(CNN)	111.1726	0.216	5	111.1726	0.047	5	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCuC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCuC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	115.7454	0.466	20	115.7454	0.217	20	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NFeC)(NCC)2	N(CD3)2(CNN)	N(CD3)2(CNN)	C(NFeC)(NCC)2	N(CD3)2(CNN)	N(CD3)2(CNN)	117.4630	0.681	3	117.4630	0.463	3	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NFeC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NFeC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	116.8555	0.955	11	116.8555	0.912	11	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NMgH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NMgH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	115.9543	1.034	6	115.9543	1.068	6	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NMnC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NMnC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	116.3860	0.000	1	116.3860	0.000	1	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NMnH)(NCC)2	N(CCHH)2(CNN)	N(CCHH)2(CNN)	C(NMnH)(NCC)2	N(CCHH)2(CNN)	N(CCHH)2(CNN)	115.2800	0.697	2	115.2800	0.486	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NP[6]Pd)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NP[6]Pd)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	119.6930	0.840	2	119.6930	0.706	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NPdC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NPdC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	116.6800	0.000	1	116.6800	0.000	1	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NPtH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NPtH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	118.3560	0.000	1	118.3560	0.000	1	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NZn2)(NCC)2	N(CCHH)2(CNN)	N(CCHH)2(CNN)	C(NZn2)(NCC)2	N(CCHH)2(CNN)	N(CCHH)2(CNN)	112.1670	0.421	2	112.1670	0.178	2	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NZnH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NZnH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	116.6292	0.723	5	116.6292	0.522	5	118.3687	6.585	179	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:P-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(PCS)	N(CH3)2(CNP)	N(CH3)2(CNP)	C(NCC)2(PCS)	N(CH3)2(CNP)	N(CH3)2(CNP)	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	119.0131	10.699	212	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:4:	3:3:1:	3:3:1:	N-3:N-3:C-4:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(CC3)	N(C[6a]C[6a]2)(CCN)(H)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)2(CC3)	N(C[6a]C[6a]2)(CCN)(H)	N(C[6a]C[6a]2)(CCN)(H)	117.2200	0.509	2	117.2200	0.259	2	117.2200	0.259	2	117.2200	0.259	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:4:	3:4:3:	3:3:1:	N-3:N-3:C-4:	C[6a]-3:B-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]B)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]B)(NC[6a]H)(CH3)	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	N(C[6a]C[6a]2)(CCN)(H)	119.7620	0.000	1	119.7620	0.000	1	119.7620	0.000	1	119.7620	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:4:	3:4:3:	3:4:3:	N-3:N-3:In-4:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(InBr3)	N(C[6a]C[6a]2)(CCHH)(CInN)	N(C[6a]C[6a]2)(CCHH)(CInN)	C(NC[6a]C)2(InBr3)	N(C[6a]C[6a]2)(CCHH)(CInN)	N(C[6a]C[6a]2)(CCHH)(CInN)	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:3:4:	4:3:1:	4:3:1:	N-3:N-3:C-4:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)2(CCHH)	N(C[6]C[6]2H)(CCN)(H)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)2(CCHH)	N(C[6]C[6]2H)(CCN)(H)	N(C[6]C[6]2H)(CCN)(H)	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	121.9370	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:4:3:	3:3:1:	3:1:1:	N-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(CH3)(NHH)	N(C[6a]C[6a]2)(CCN)(H)	N(CCN)(H)2	C(NC[6a]H)(CH3)(NHH)	N(C[6a]C[6a]2)(CCN)(H)	N(CCN)(H)2	122.0810	0.395	2	122.0810	0.156	2	122.0810	0.156	2	122.0810	0.156	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:4:3:	6:3:1:	3:2:1:	N-3:C-4:N-3:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C-3:N-2:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	N(CCN)(NC)(H)	119.8573	0.507	3	119.8573	0.257	3	119.8573	0.257	3	119.8573	0.257	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:4:3:	6:3:1:	3:3:1:	N-3:C-4:N-3:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C-3:N-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	N(CCN)(NCH)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	N(CCN)(NCH)(H)	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	118.8590	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:4:3:	6:3:1:	4:3:1:	N-3:C-4:N-3:	B[3x3,3x5,12x6]-6:C-3:H-1:	C-4:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	N(CCHH)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	N(CCHH)(CCN)(H)	120.5060	0.000	1	120.5060	0.000	1	120.5060	0.000	1	120.5060	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	3:4:3:	6:3:1:	4:4:3:	N-3:C-4:N-3:	B[3x3,3x5,12x6]-6:C-3:H-1:	C-4:C-4:C-3:	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	N(CCHH)2(CCN)	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	N(CCHH)2(CCN)	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	120.2810	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CCHH)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	121.6933	1.040	14	121.6933	1.082	14	121.4218	3.195	60	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[5]NN)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CC[5]NN)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	123.5600	0.000	1	123.5600	0.000	1	121.4218	3.195	60	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]CO)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CC[6a]CO)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	121.0930	0.482	2	121.0930	0.233	2	121.4218	3.195	60	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CH3)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	121.1773	1.966	41	121.1773	3.867	41	121.4218	3.195	60	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHNN)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CHNN)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	123.7950	0.000	1	123.7950	0.000	1	121.4218	3.195	60	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CN3)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	C(CN3)(NHH)2	N(CCN)(H)2	N(CCN)(H)2	123.7930	0.000	1	123.7930	0.000	1	121.4218	3.195	60	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:O-1:O-1:	C-3:O-1:O-1:	C(CHHN)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	C(CHHN)(NOO)2	N(CCN)(O)2	N(CCN)(O)2	120.8420	0.000	1	120.8420	0.000	1	120.8420	0.000	1	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C[5]-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2Fe)(NHH)2	N(CC[5]N)(H)2	N(CC[5]N)(H)2	C(C[5]C[5]2Fe)(NHH)2	N(CC[5]N)(H)2	N(CC[5]N)(H)2	119.3120	0.000	1	119.3120	0.000	1	119.3120	0.000	1	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	C[6]-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6]C[6,6]C[6]C)(NHH)2	N(CC[6]N)(H)2	N(CC[6]N)(H)2	C(C[6]C[6,6]C[6]C)(NHH)2	N(CC[6]N)(H)2	N(CC[6]N)(H)2	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	P-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(PO3)(NHH)2	N(CNP)(H)2	N(CNP)(H)2	C(PO3)(NHH)2	N(CNP)(H)2	N(CNP)(H)2	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:1:1:	3:1:1:	S-4:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(SCu3)(NHH)2	N(CNS)(H)2	N(CNS)(H)2	C(SCu3)(NHH)2	N(CNS)(H)2	N(CNS)(H)2	120.5403	0.449	4	120.5403	0.202	4	120.5403	0.202	4	121.3135	3.009	68	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:2:1:	3:1:1:	C-4:N-3:N-3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(CC3)(NHH)(NHO)	N(CCN)(OH)(H)	N(CCN)(H)2	C(CC3)(NHH)(NHO)	N(CCN)(OH)(H)	N(CCN)(H)2	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:3:1:	3:2:1:	C-4:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[5a]HH)(NC[6a]H)(NHN)	N(C[6a]C[6a]2)(CCN)(H)	N(CCN)(NC)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	N(C[6a]C[6a]2)(CCN)(H)	N(CCN)(NC)(H)	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:3:1:	3:4:1:	C[5,6]-4:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[5,6]N)(H)	N(CC[5,6]N)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6a]H)(NCH)	N(C[6a]C[6a]2)(CC[5,6]N)(H)	N(CC[5,6]N)(CC3)(H)	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	117.6780	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(C[5,6]C[5,5,6]C[5,6]H)(NCH)2	N(CC[5,6]N)(CC3)(H)	N(CC[5,6]N)(CC3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NCH)2	N(CC[5,6]N)(CC3)(H)	N(CC[5,6]N)(CC3)(H)	120.1030	0.263	2	120.1030	0.069	2	120.1030	0.069	2	120.1030	0.069	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:3:1:	4:3:1:	C-4:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC3)(NCH)2	N(CC[6a]CH)(CCN)(H)	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)2	N(CC[6a]CH)(CCN)(H)	N(CC[6a]CH)(CCN)(H)	124.6370	0.000	1	124.6370	0.000	1	123.0165	5.252	2	122.8914	12.645	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:3:1:	4:3:1:	C-4:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)2	N(CCCH)(CCN)(H)	N(CCCH)(CCN)(H)	C(CH3)(NCH)2	N(CCCH)(CCN)(H)	N(CCCH)(CCN)(H)	121.3960	0.000	1	121.3960	0.000	1	123.0165	5.252	2	122.8914	12.645	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:3:1:	4:3:1:	C[5]-4:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[5]C[5]2Fe)(NC[6]H)2	N(C[6]C[6]2H)(CC[5]N)(H)	N(C[6]C[6]2H)(CC[5]N)(H)	C(C[5]C[5]2Fe)(NC[6]H)2	N(C[6]C[6]2H)(CC[5]N)(H)	N(C[6]C[6]2H)(CC[5]N)(H)	120.0110	2.622	3	120.0110	6.873	3	120.0110	6.873	3	122.8914	12.645	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:3:1:	4:3:1:	P-4:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(PC[5]OW)(NCH)2	N(CCCH)(CNP)(H)	N(CCCH)(CNP)(H)	C(PC[5]OW)(NCH)2	N(CCCH)(CNP)(H)	N(CCCH)(CNP)(H)	127.1120	0.000	1	127.1120	0.000	1	127.1120	0.000	1	122.8914	12.645	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:3:1:	4:3:1:	P-4:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(PC[5]OW)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	N(C[6]C[6]2H)(CNP)(H)	C(PC[5]OW)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	N(C[6]C[6]2H)(CNP)(H)	127.9840	0.000	1	127.9840	0.000	1	124.9765	18.090	2	122.8914	12.645	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:3:1:	4:3:1:	P-4:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(PC[6]2B)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	N(C[6]C[6]2H)(CNP)(H)	C(PC[6]2B)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	N(C[6]C[6]2H)(CNP)(H)	121.9690	0.000	1	121.9690	0.000	1	124.9765	18.090	2	122.8914	12.645	8	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:3:3:	4:3:1:	C-4:N-3:N-3:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CH3)(NCC)(NCH)	N(CCHH)(CClC)(CCN)	N(CCHH)(CCN)(H)	C(CH3)(NCC)(NCH)	N(CCHH)(CClC)(CCN)	N(CCHH)(CCN)(H)	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	120.1930	0.000	1	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:4:3:	3:1:1:	C-4:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(CH3)(NCC)(NHH)	N(CH3)2(CCN)	N(CCN)(H)2	C(CH3)(NCC)(NHH)	N(CH3)2(CCN)	N(CCN)(H)2	122.4695	0.200	2	122.4695	0.040	2	122.4695	0.040	2	121.4950	1.280	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:4:3:	3:1:1:	P-4:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(PC[6a]Se2)(NCC)(NHH)	N(CCHH)(CH3)(CNP)	N(CNP)(H)2	C(PC[6a]Se2)(NCC)(NHH)	N(CCHH)(CH3)(CNP)	N(CNP)(H)2	120.5205	0.019	2	120.5205	0.000	2	120.5205	0.000	2	121.4950	1.280	4	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:4:3:	4:4:3:	B-4:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(BC[6a]Cl2)(NCC)2	N(CCCH)2(CBN)	N(CCCH)2(CBN)	C(BC[6a]Cl2)(NCC)2	N(CCCH)2(CBN)	N(CCCH)2(CBN)	116.7705	0.272	2	116.7705	0.074	2	116.7705	0.074	2	119.8446	8.020	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:4:3:	4:4:3:	C-4:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CCHH)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	C(CCHH)(NCC)2	N(CH3)2(CCN)	N(CH3)2(CCN)	121.6100	0.150	2	121.6100	0.022	2	121.8940	0.253	3	119.8446	8.020	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	4:3:3:	4:4:3:	4:4:3:	C-4:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CHHS)(NCC)2	N(CCHH)2(CCN)	N(CCHH)2(CCN)	C(CHHS)(NCC)2	N(CCHH)2(CCN)	N(CCHH)2(CCN)	122.4620	0.000	1	122.4620	0.000	1	121.8940	0.253	3	119.8446	8.020	5	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	5:3:3:	3:4:1:	3:4:1:	C[3x3,3x5,12x6]-5:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)2	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NCH)2	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	120.2230	0.000	1	120.2230	0.000	1	120.2230	0.000	1	120.3435	0.029	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	5:3:3:	3:4:1:	3:4:1:	C[3x3,3x5,12x6]-5:N-3:N-3:	C-3:C[6]-4:H-1:	C-3:C[6]-4:H-1:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NC[6]H)2	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NC[6]H)2	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	120.3435	0.029	2	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	6:3:3:	4:4:3:	4:4:3:	P-6:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(PCF4)(NCC)2	N(CH3)2(CNP)	N(CH3)2(CNP)	C(PCF4)(NCC)2	N(CH3)2(CNP)	N(CH3)2(CNP)	117.9990	0.038	2	117.9990	0.001	2	117.6563	0.353	3	117.6563	0.353	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP2	C	N	N	6:3:3:	4:4:3:	4:4:3:	P-6:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(PF5)(NCC)2	N(CH3)2(CNP)	N(CH3)2(CNP)	C(PF5)(NCC)2	N(CH3)2(CNP)	N(CH3)2(CNP)	116.9710	0.000	1	116.9710	0.000	1	117.6563	0.353	3	117.6563	0.353	3	117.9356	9.821	7325	117.9356	9.821	7325
930	956	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	3:1:1:	3:1:1:	N-2:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[5a])(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[5a])(NHH)2	N(CNN)(H)2	N(CNN)(H)2	118.6740	0.000	1	118.6740	0.000	1	118.6955	0.001	2	118.6955	0.001	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	3:1:1:	3:1:1:	N-2:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[6a])(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[6a])(NHH)2	N(CNN)(H)2	N(CNN)(H)2	118.7170	0.000	1	118.7170	0.000	1	118.6955	0.001	2	118.6955	0.001	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	4:3:1:	4:3:1:	N-2:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[5])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[5])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	116.2760	0.000	1	116.2760	0.000	1	115.1630	2.392	3	115.1630	2.392	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	4:3:1:	4:3:1:	N-2:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a])(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	114.6065	1.710	2	114.6065	2.926	2	115.1630	2.392	3	115.1630	2.392	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	4:4:3:	4:4:3:	N-2:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[5])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[5])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	114.2400	0.000	1	114.2400	0.000	1	114.7945	0.216	4	114.7945	0.216	4	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	2:3:3:	4:4:3:	4:4:3:	N-2:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NC[6a])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NC[6a])(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	114.9793	0.345	3	114.9793	0.119	3	114.7945	0.216	4	114.7945	0.216	4	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:2:3:	4:3:1:	4:4:3:	N-3:N-2:N-3:	C[6]-4:C-3:H-1:	C-4:C-4:C-3:	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)(H)	N(CH3)2(CNN)	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)(H)	N(CH3)2(CNN)	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:O-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NC[5,6])(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NC[5,6])(CNO)(H)	N(CNO)(H)2	116.1440	0.000	1	116.1440	0.000	1	116.1065	0.003	2	116.1065	0.003	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	2:3:1:	3:1:1:	N-3:N-3:O-1:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NC[6])(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NC[6])(CNO)(H)	N(CNO)(H)2	116.0690	0.000	1	116.0690	0.000	1	116.1065	0.003	2	116.1065	0.003	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	2:3:1:	4:3:1:	N-3:N-3:S-1:	N-2:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(S)	N(NC[6])(CNS)(H)	N(CH3)(CNS)(H)	116.3870	0.328	2	116.3870	0.108	2	116.3870	0.108	2	116.3870	0.108	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:1:1:	3:1:1:	N-3:N-3:O-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(O)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(O)	N(CNO)(H)2	N(CNO)(H)2	117.1237	2.246	6	117.1237	5.046	6	117.1237	5.046	6	117.3538	3.293	9	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:1:1:	3:1:1:	N-3:N-3:S-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(S)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(S)	N(CNS)(H)2	N(CNS)(H)2	117.8140	0.283	3	117.8140	0.080	3	117.8140	0.080	3	117.3538	3.293	9	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:2:1:	3:1:1:	N-3:N-3:O-1:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(CNO)(NC)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(CNO)(NC)(H)	N(CNO)(H)2	117.1520	0.000	1	117.1520	0.000	1	117.1520	0.000	1	117.7643	0.127	6	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:2:1:	3:1:1:	N-3:N-3:O-1:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)(H)2	C(NHH)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)(H)2	117.9470	0.194	4	117.9470	0.038	4	117.9470	0.038	4	117.7643	0.127	6	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:2:1:	3:1:1:	N-3:N-3:S-1:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(CNS)(NC)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(CNS)(NC)(H)	N(CNS)(H)2	117.6460	0.000	1	117.6460	0.000	1	117.6460	0.000	1	117.7643	0.127	6	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:2:1:	3:3:2:	N-3:N-3:O-1:	C-3:O-2:H-1:	C-3:C-3:O-2:	C(NCO)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)2(OC)	C(NCO)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)2(OC)	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	114.8720	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	2:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6])(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6])(CNS)(H)	114.8440	0.567	2	114.8440	0.322	2	114.8440	0.322	2	114.8440	0.322	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CNO)(CNS)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CNO)(CNS)(H)	N(CNO)(H)2	114.0450	0.000	1	114.0450	0.000	1	114.0450	0.000	1	116.7525	3.381	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(CNO)(NCH)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(CNO)(NCH)(H)	N(CNO)(H)2	115.8025	0.629	2	115.8025	0.395	2	115.8025	0.395	2	116.7525	3.381	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(CNO)(H)2	116.0510	0.000	1	116.0510	0.000	1	115.0483	1.005	3	116.7525	3.381	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(H)2	C(NC[6a]H)(NHH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(H)2	114.5470	0.709	2	114.5470	0.502	2	115.0483	1.005	3	116.7525	3.381	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(CNS)(NCH)(H)	N(CNS)(H)2	118.3890	0.563	4	118.3890	0.317	4	118.3890	0.317	4	116.7525	3.381	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	C(NC[6a]H)(NHH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(H)2	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	116.7525	3.381	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:S-1:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(NC[6]H)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(NC[6]H)(CNS)(H)	N(CNS)(H)2	117.9940	0.000	1	117.9940	0.000	1	117.9940	0.000	1	116.7525	3.381	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NC)(H)	C(NC[6a]H)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(NC)(H)	114.9500	0.000	1	114.9500	0.000	1	114.9500	0.000	1	115.7925	1.420	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:2:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-3:O-2:H-1:	C(NC[6a]H)(NHO)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(OH)(H)	C(NC[6a]H)(NHO)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CNO)(OH)(H)	116.6350	0.000	1	116.6350	0.000	1	116.6350	0.000	1	115.7925	1.420	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C(NCH)(NHN)(O)	N(CNO)(NOO)(H)	N(CNO)2(H)	C(NCH)(NHN)(O)	N(CNO)(NOO)(H)	N(CNO)2(H)	118.9060	0.000	2	118.9060	0.000	2	118.9060	0.000	2	116.0153	5.348	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(NHN)2(O)	N(CNO)(NCH)(H)	N(CNO)(NHH)(H)	C(NHN)2(O)	N(CNO)(NCH)(H)	N(CNO)(NHH)(H)	115.6070	0.000	1	115.6070	0.000	1	115.6070	0.000	1	116.0153	5.348	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	111.8370	0.000	1	111.8370	0.000	1	112.4875	0.846	2	116.0153	5.348	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	113.1380	0.000	1	113.1380	0.000	1	112.4875	0.846	2	116.0153	5.348	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NCH)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CNS)(NCH)(H)	116.3530	1.715	2	116.3530	2.943	2	116.3530	2.943	2	116.0153	5.348	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	116.4525	1.977	4	116.4525	3.907	4	116.4525	3.907	4	116.0153	5.348	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6a]H)(CNS)(H)	C(NC[6a]H)(NHN)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(NC[6a]H)(CNS)(H)	115.2740	0.000	1	115.2740	0.000	1	115.2740	0.000	1	116.0153	5.348	12	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]C)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]C)(CNO)(H)	N(CCCH)(CNO)(H)	123.0260	0.000	1	123.0260	0.000	1	123.0260	0.000	1	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(CCHH)(CNO)(H)	113.2450	0.000	1	113.2450	0.000	1	113.7065	0.232	8	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	114.3040	0.086	2	114.3040	0.007	2	113.7065	0.232	8	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CCHH)(CNO)(H)	113.5167	0.531	3	113.5167	0.282	3	113.7065	0.232	8	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	C(NC[6a]H)(NCH)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(CCCH)(CNO)(H)	113.6245	0.057	2	113.6245	0.003	2	113.7065	0.232	8	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	C(NC[6a]H)(NHS)(O)	N(C[6a]N[6a]2)(CNO)(H)	N(SC[6a]OO)(CNO)(H)	114.8670	0.000	1	114.8670	0.000	1	114.8670	0.000	1	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CNS)(H)	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)(CNS)(H)	110.6540	0.000	1	110.6540	0.000	1	111.6940	2.163	2	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]HP)(CNS)(H)	C(NC[6a]H)(NCH)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CC[6a]HP)(CNS)(H)	112.7340	0.000	1	112.7340	0.000	1	111.6940	2.163	2	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C(NC[6a]H)(NHS)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(SC[6a]OO)(CNS)(H)	C(NC[6a]H)(NHS)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(SC[6a]OO)(CNS)(H)	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	114.5191	8.048	14	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:3:2:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-2:	C(NC[6a]H)(NCO)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)(CNO)(OC)	C(NC[6a]H)(NCO)(O)	N(C[6a]C[6a]2)(CNO)(H)	N(CH3)(CNO)(OC)	115.0870	0.539	2	115.0870	0.290	2	115.0870	0.290	2	115.0870	0.290	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6]-4:C-4:C-3:	C(NC[6a]H)(NC[6]C)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6]C[6]2H)(CH3)(CNO)	C(NC[6a]H)(NC[6]C)(O)	N(C[6a]C[6a,6a]C[6a])(CNO)(H)	N(C[6]C[6]2H)(CH3)(CNO)	114.6510	0.000	1	114.6510	0.000	1	114.6510	0.000	1	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	N(CCHH)2(CNS)	C(NCC)(NCH)(S)	N(CCO)(CNS)(H)	N(CCHH)2(CNS)	115.6820	0.000	1	115.6820	0.000	1	116.3761	0.450	11	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[5a]O)(CNS)(H)	N(CC[6a]HH)2(CNS)	C(NCC)(NCH)(S)	N(CC[5a]O)(CNS)(H)	N(CC[6a]HH)2(CNS)	116.5430	0.000	1	116.5430	0.000	1	116.3761	0.450	11	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CH3)(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)(CH3)(CNS)	115.8070	0.000	1	115.8070	0.000	1	116.3761	0.450	11	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)2(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CCHH)2(CNS)	115.9172	0.365	4	115.9172	0.133	4	116.3761	0.450	11	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CC[6a]HH)2(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CC[6a]HH)2(CNS)	116.8380	0.000	1	116.8380	0.000	1	116.3761	0.450	11	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CH3)2(CNS)	C(NCC)(NCH)(S)	N(CC[6a]O)(CNS)(H)	N(CH3)2(CNS)	117.0440	0.195	2	117.0440	0.038	2	116.3761	0.450	11	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(S)	N(CNS)(COO)(H)	N(CCHH)2(CNS)	C(NCC)(NCH)(S)	N(CNS)(COO)(H)	N(CCHH)2(CNS)	117.5100	0.000	1	117.5100	0.000	1	116.3761	0.450	11	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C-3:N-3:H-1:	C-4:C-4:C-3:	C(NCC)(NHN)(S)	N(CNS)(NCH)(H)	N(CH3)2(CNS)	C(NCC)(NHN)(S)	N(CNS)(NCH)(H)	N(CH3)2(CNS)	115.5525	1.802	2	115.5525	3.249	2	115.5525	3.249	2	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)2(CNS)	C(NC[6a]H)(NCC)(S)	N(C[6a]C[6a]2)(CNS)(H)	N(CCHH)2(CNS)	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:1:	4:4:3:	N-3:N-3:Se-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NCH)(Se)	N(CC[6a]O)(CSeN)(H)	N(CCHH)2(CSeN)	C(NCC)(NCH)(Se)	N(CC[6a]O)(CSeN)(H)	N(CCHH)2(CSeN)	116.4303	0.453	4	116.4303	0.205	4	116.4303	0.205	4	116.0895	0.911	19	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:2:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:O-2:	C-3:N-3:H-1:	C(NC[6a]O)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(OC)	N(CNO)(NHH)(H)	C(NC[6a]O)(NHN)(O)	N(C[6a]C[6a]2)(CNO)(OC)	N(CNO)(NHH)(H)	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	114.8510	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:3:	3:1:1:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(NC[6a]2)(NHH)(O)	N(C[6a]C[6a]2)2(CNO)	N(CNO)(H)2	C(NC[6a]2)(NHH)(O)	N(C[6a]C[6a]2)2(CNO)	N(CNO)(H)2	117.4990	0.808	7	117.4990	0.653	7	117.4990	0.653	7	117.4990	0.653	7	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(NC[6a]2)(NCH)(S)	N(C[6a]C[6a]2)2(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[6a]2)(NCH)(S)	N(C[6a]C[6a]2)2(CNS)	N(CC[6a]O)(CNS)(H)	115.3360	0.092	2	115.3360	0.008	2	115.3360	0.008	2	115.3360	0.008	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:3:3:	4:3:3:	N-3:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(NC[6a]2)(NCC)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	N(CC3)(CCO)(CNO)	C(NC[6a]2)(NCC)(O)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(CNO)	N(CC3)(CCO)(CNO)	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	113.9320	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]C)(NC[6a]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	114.9980	0.817	2	114.9980	0.668	2	114.9980	0.668	2	115.5080	0.972	7	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	N[5]-3:C-3:H-1:	C(NC[6a]C)(NN[5]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(N[5]C[5]2)(CNO)(H)	C(NC[6a]C)(NN[5]H)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(N[5]C[5]2)(CNO)(H)	114.0750	0.000	1	114.0750	0.000	1	114.0750	0.000	1	115.5080	0.972	7	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:O-1:	N[5a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NN[5a]C)(O)	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)(NN[5a]C)(O)	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(CNO)(H)	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	115.5080	0.972	7	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CCHH)(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CCHH)(CNS)	N(CC[6a]O)(CNS)(H)	115.5660	0.000	1	115.5660	0.000	1	116.0953	0.540	3	115.5080	0.972	7	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CC[6a]O)(CNS)(H)	C(NC[6a]C)(NCH)(S)	N(C[6a]C[6a]2)(CH3)(CNS)	N(CC[6a]O)(CNS)(H)	116.3600	0.812	2	116.3600	0.659	2	116.0953	0.540	3	115.5080	0.972	7	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C-3:C-4:C-3:	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(CC[6a]C)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(CC[6a]C)(CH3)(CNO)	116.1695	0.815	2	116.1695	0.665	2	116.1695	0.665	2	116.5985	0.540	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	C(NC[6a]C)2(O)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	N(C[6a]C[6a,6a]C[6a])(CH3)(CNO)	117.2470	0.000	1	117.2470	0.000	1	116.7415	0.525	6	116.5985	0.540	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	116.6404	0.762	5	116.6404	0.580	5	116.7415	0.525	6	116.5985	0.540	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CCCH)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CCCH)(CNO)(H)	N(CNO)(H)2	117.2770	0.810	2	117.2770	0.657	2	116.4838	0.605	6	116.1142	0.922	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CCHH)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CCHH)(CNO)(H)	N(CNO)(H)2	116.1683	0.448	3	116.1683	0.201	3	116.4838	0.605	6	116.1142	0.922	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(O)	N(CC[6a]N[5]H)(CNO)(H)	N(CNO)(H)2	C(NCH)(NHH)(O)	N(CC[6a]N[5]H)(CNO)(H)	N(CNO)(H)2	115.8440	0.000	1	115.8440	0.000	1	116.4838	0.605	6	116.1142	0.922	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:O-1:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(NH3)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(NH3)(CNO)(H)	N(CNO)(H)2	114.7300	0.000	1	114.7300	0.000	1	114.7300	0.000	1	116.1142	0.922	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:1:1:	N-3:N-3:S-1:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(S)	N(NH3)(CNS)(H)	N(CNS)(H)2	115.2810	0.000	1	115.2810	0.000	1	115.2810	0.000	1	116.1142	0.922	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:O-2:H-1:	C(NCH)(NHO)(O)	N(CC[6a]CH)(CNO)(H)	N(CNO)(OH)(H)	C(NCH)(NHO)(O)	N(CC[6a]CH)(CNO)(H)	N(CNO)(OH)(H)	117.2930	0.000	1	117.2930	0.000	1	117.2930	0.000	1	117.2134	0.549	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(S)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	117.7800	0.086	2	117.7800	0.007	2	117.3547	0.571	6	117.2134	0.549	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(S)	N(CH3)(CNS)(H)	N(CNS)(NC)(H)	117.1420	0.877	4	117.1420	0.769	4	117.3547	0.571	6	117.2134	0.549	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:2:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-3:N-2:H-1:	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CNS)(NC)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CNS)(NC)(H)	116.2860	0.000	1	116.2860	0.000	1	116.2860	0.000	1	117.2134	0.549	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	N(CC[6a]CC)(CNO)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC[6a]CC)(CNO)(H)	N(CNO)(NCH)(H)	112.4950	0.505	3	112.4950	0.255	3	112.4950	0.255	3	114.6940	19.512	4	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(NCH)(NHN)(S)	N(CC[6]CH)(CNS)(H)	N(NC[6]H)(CNS)(H)	C(NCH)(NHN)(S)	N(CC[6]CH)(CNS)(H)	N(NC[6]H)(CNS)(H)	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	114.6940	19.512	4	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CHHN)(CNO)(H)	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CHHN)(CNO)(H)	120.6640	0.000	1	120.6640	0.000	1	116.0114	4.267	7	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[5]HH)(CNO)(H)	N(CCCH)(CNO)(H)	C(NCH)2(O)	N(CC[5]HH)(CNO)(H)	N(CCCH)(CNO)(H)	115.2560	0.000	1	115.2560	0.000	1	116.0114	4.267	7	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	115.2320	0.295	5	115.2320	0.087	5	116.0114	4.267	7	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[5,5,6]-4:C-3:H-1:	C[5,5,6]-4:C-3:H-1:	C(NC[5,5,6]H)2(O)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	C(NC[5,5,6]H)2(O)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	N(C[5,5,6]C[5,5]C[5,6]2)(CNO)(H)	113.1310	0.000	1	113.1310	0.000	1	113.1310	0.000	1	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CC[6a]CH)(CNO)(H)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	N(CC[6a]CH)(CNO)(H)	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)2(O)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C(NC[6]H)2(O)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	N-4:C-3:H-1:	N-4:C-3:H-1:	C(NHN)2(O)	N(NH3)(CNO)(H)	N(NH3)(CNO)(H)	C(NHN)2(O)	N(NH3)(CNO)(H)	N(NH3)(CNO)(H)	112.3010	0.000	1	112.3010	0.000	1	112.3010	0.000	1	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)(NHS)(O)	N(SC[6a]OO)(CNO)(H)	N(CCHH)(CNO)(H)	115.3770	0.076	2	115.3770	0.006	2	115.3770	0.006	2	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6]CH)(CNS)(H)	N(CC[6a]3)(CNS)(H)	C(NCH)2(S)	N(CC[6]CH)(CNS)(H)	N(CC[6a]3)(CNS)(H)	117.6660	0.000	1	117.6660	0.000	1	118.1695	0.507	2	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	N(CCCH)(CNS)(H)	C(NCH)2(S)	N(CC[6a]3)(CNS)(H)	N(CCCH)(CNS)(H)	118.6730	0.000	1	118.6730	0.000	1	118.1695	0.507	2	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CCCH)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CCCH)(CNS)(H)	114.1520	0.000	1	114.1520	0.000	1	113.9070	0.120	2	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	C[6]-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	N(CC[6a]CH)(CNS)(H)	113.6620	0.000	1	113.6620	0.000	1	113.9070	0.120	2	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:S-1:	N-4:C-3:H-1:	N-4:C-3:H-1:	C(NHN)2(S)	N(NH3)(CNS)(H)	N(NH3)(CNS)(H)	C(NHN)2(S)	N(NH3)(CNS)(H)	N(NH3)(CNS)(H)	111.9320	0.000	1	111.9320	0.000	1	111.9320	0.000	1	115.2700	4.477	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:2:	3:1:1:	N-3:N-3:O-1:	C-4:C-3:O-2:	C-3:H-1:H-1:	C(NCO)(NHH)(O)	N(CC[5a]CH)(CNO)(OH)	N(CNO)(H)2	C(NCO)(NHH)(O)	N(CC[5a]CH)(CNO)(OH)	N(CNO)(H)2	118.2330	0.000	1	118.2330	0.000	1	118.2330	0.000	1	117.5395	0.962	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:2:	3:1:1:	N-3:N-3:S-1:	C-4:C-3:O-2:	C-3:H-1:H-1:	C(NCO)(NHH)(S)	N(CH3)(CNS)(OH)	N(CNS)(H)2	C(NCO)(NHH)(S)	N(CH3)(CNS)(OH)	N(CNS)(H)2	116.8460	0.000	1	116.8460	0.000	1	116.8460	0.000	1	117.5395	0.962	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:2:	4:4:3:	N-3:N-3:O-1:	C[5]-4:C-3:O-2:	C-4:C-4:C-3:	C(NC[5]O)(NCC)(O)	N(C[5]C[5]2C)(CNO)(OH)	N(CH3)2(CNO)	C(NC[5]O)(NCC)(O)	N(C[5]C[5]2C)(CNO)(OH)	N(CH3)2(CNO)	117.8300	0.000	1	117.8300	0.000	1	117.8300	0.000	1	117.8300	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:3:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:N-3:	C-4:C-3:H-1:	C(NCH)(NCN)(O)	N(CCHH)(CNO)(NCH)	N(CCHH)(CNO)(H)	C(NCH)(NCN)(O)	N(CCHH)(CNO)(NCH)	N(CCHH)(CNO)(H)	114.7690	0.000	1	114.7690	0.000	1	115.7530	1.937	2	115.7530	1.937	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:3:3:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:N-3:	C-4:C-3:H-1:	C(NCH)(NCN)(O)	N(CH3)(CNO)(NCH)	N(CCCH)(CNO)(H)	C(NCH)(NCN)(O)	N(CH3)(CNO)(NCH)	N(CCCH)(CNO)(H)	116.7370	0.000	1	116.7370	0.000	1	115.7530	1.937	2	115.7530	1.937	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:4:3:	4:3:1:	N-3:N-3:O-1:	C-4:C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(O)	N(CC[6a]2C)(CH3)(CNO)	N(CH3)(CNO)(H)	C(NCC)(NCH)(O)	N(CC[6a]2C)(CH3)(CNO)	N(CH3)(CNO)(H)	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	116.2480	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(O)	N(CCHH)(CH3)(CNO)	N(CH3)2(CNO)	C(NCC)2(O)	N(CCHH)(CH3)(CNO)	N(CH3)2(CNO)	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	115.7897	18.733	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	C-4:C-4:C-3:	S-4:C-4:C-3:	C(NCC)(NCS)(O)	N(CC[6a]HH)(CCHH)(CNO)	N(SC[6a]OO)(CCHH)(CNO)	C(NCC)(NCS)(O)	N(CC[6a]HH)(CCHH)(CNO)	N(SC[6a]OO)(CCHH)(CNO)	111.5420	0.000	1	111.5420	0.000	1	111.5420	0.000	1	115.7897	18.733	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:1:	4:4:3:	4:4:3:	N-3:N-3:O-1:	P-4:C-4:C-3:	P-4:C-4:C-3:	C(NCP)2(O)	N(PC[6a]2Pd)(CCHH)(CNO)	N(PC[6a]2Pd)(CCHH)(CNO)	C(NCP)2(O)	N(PC[6a]2Pd)(CCHH)(CNO)	N(PC[6a]2Pd)(CCHH)(CNO)	120.1940	0.000	1	120.1940	0.000	1	120.1940	0.000	1	115.7897	18.733	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NC)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NC)	N(CNN)(H)2	N(CNN)(H)2	118.4408	0.887	6	118.4408	0.787	6	117.2694	3.898	14	117.7799	3.421	20	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NH)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NH)	N(CNN)(H)2	N(CNN)(H)2	115.3548	0.312	6	115.3548	0.097	6	117.2694	3.898	14	117.7799	3.421	20	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NN)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NN)	N(CNN)(H)2	N(CNN)(H)2	119.4985	2.466	2	119.4985	6.080	2	117.2694	3.898	14	117.7799	3.421	20	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OCo)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OCo)	N(CNO)(H)2	N(CNO)(H)2	118.3040	0.000	1	118.3040	0.000	1	118.7910	0.298	5	117.7799	3.421	20	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(ONi)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(ONi)	N(CNO)(H)2	N(CNO)(H)2	118.3570	0.000	1	118.3570	0.000	1	118.7910	0.298	5	117.7799	3.421	20	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(OSn)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(OSn)	N(CNO)(H)2	N(CNO)(H)2	119.0980	0.492	3	119.0980	0.242	3	118.7910	0.298	5	117.7799	3.421	20	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:S-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(SC)	N(CNS)(H)2	N(CNS)(H)2	C(NHH)2(SC)	N(CNS)(H)2	N(CNS)(H)2	119.8720	0.000	1	119.8720	0.000	1	119.8720	0.000	1	117.7799	3.421	20	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)(NC)	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	114.7590	0.000	1	114.7590	0.000	1	114.7590	0.000	1	114.8260	0.009	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:1:	3:1:1:	N-3:N-3:O-2:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(OMn)	N(NMnC)(CNO)(H)	N(CNO)(H)2	C(NHH)(NHN)(OMn)	N(NMnC)(CNO)(H)	N(CNO)(H)2	114.8930	0.000	1	114.8930	0.000	1	114.8930	0.000	1	114.8260	0.009	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(NCH)2(NCl)	N(CNN)(COO)(H)	N(CNN)(COO)(H)	C(NCH)2(NCl)	N(CNN)(COO)(H)	N(CNN)(COO)(H)	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:3:1:	4:3:1:	N-3:N-3:S-2:	N-3:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CH3)(CNS)(H)	C(NCH)(NHN)(SNi)	N(NNiC)(CNS)(H)	N(CH3)(CNS)(H)	114.5700	0.000	1	114.5700	0.000	1	114.5700	0.000	1	114.5700	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	3:4:3:	3:4:3:	N-3:N-3:N-2:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NH)	N(C[6a]C[6a]2)(CCCH)(CNN)	N(C[6a]C[6a]2)(CCCH)(CNN)	C(NC[6a]C)2(NH)	N(C[6a]C[6a]2)(CCCH)(CNN)	N(C[6a]C[6a]2)(CCCH)(CNN)	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	112.9230	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)(NH)	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)(NH)	N(CCHH)(CNN)(H)	N(CNN)(H)2	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	118.2910	8.188	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:N-2:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(NN)	N(NH3)(CNN)(H)	N(CNN)(H)2	C(NHH)(NHN)(NN)	N(NH3)(CNN)(H)	N(CNN)(H)2	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	118.2910	8.188	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:1:	3:1:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CNS)(H)2	C(NHH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CNS)(H)2	120.5650	0.000	1	120.5650	0.000	1	120.5650	0.000	1	118.2910	8.188	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:1:	3:2:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(NCH)(NHN)(SAg)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	C(NCH)(NHN)(SAg)	N(CCHH)(CNS)(H)	N(CNS)(NC)(H)	117.1955	0.148	2	117.1955	0.022	2	117.1955	0.022	2	117.1955	0.022	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:1:	3:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(NCH)(NHN)(SNi)	N(CCHH)(CNS)(H)	N(NNiC)(CNS)(H)	C(NCH)(NHN)(SNi)	N(CCHH)(CNS)(H)	N(NNiC)(CNS)(H)	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	114.9400	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SAg)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SAg)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	116.5120	10.233	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	N-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)(NHN)(SNi)	N(NNiHH)(CNS)(H)	N(CCHH)(CNS)(H)	114.2500	0.000	1	114.2500	0.000	1	114.2500	0.000	1	116.5120	10.233	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:3:2:	3:1:1:	N-3:N-3:N-2:	C-4:C-3:O-2:	C-3:H-1:H-1:	C(NCO)(NHH)(NN)	N(CC[6a]HH)(CNN)(OC)	N(CNN)(H)2	C(NCO)(NHH)(NN)	N(CC[6a]HH)(CNN)(OC)	N(CNN)(H)2	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:4:3:	3:1:1:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(NC)	N(CH3)2(CNN)	N(CNN)(H)2	C(NCC)(NHH)(NC)	N(CH3)2(CNN)	N(CNN)(H)2	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	119.1097	0.149	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:4:3:	3:1:1:	N-3:N-3:O-2:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)(OZn)	N(CH3)2(CNO)	N(CNO)(H)2	C(NCC)(NHH)(OZn)	N(CH3)2(CNO)	N(CNO)(H)2	119.2895	0.322	2	119.2895	0.104	2	119.2895	0.104	2	119.1097	0.149	3	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:C-2:	C[5]-4:C-4:C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)2(CN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	C(NC[5]C)2(CN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	N(C[5]C[5]2Fe)(CCHH)(CCN)	121.8150	0.000	1	121.8150	0.000	1	121.8150	0.000	1	116.3817	14.341	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CH3)2(CNN)	N(CH3)2(CNN)	115.4787	0.445	3	115.4787	0.198	3	114.4632	2.367	6	116.3817	14.341	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGe)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NGe)	N(CH3)2(CNN)	N(CH3)2(CNN)	113.2875	2.258	2	113.2875	5.098	2	114.4632	2.367	6	116.3817	14.341	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NP)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NP)	N(CH3)2(CNN)	N(CH3)2(CNN)	113.7680	0.000	1	113.7680	0.000	1	114.4632	2.367	6	116.3817	14.341	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:O-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(OU)	N(CCHH)2(CNO)	N(CCHH)2(CNO)	C(NCC)2(OU)	N(CCHH)2(CNO)	N(CCHH)2(CNO)	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	116.3817	14.341	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	C(C[6a]C[6a]2)(NHH)2	N(CC[6a]N)(H)2	N(CC[6a]N)(H)2	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NCC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NCC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	118.3010	0.000	1	118.3010	0.000	1	119.8319	1.826	47	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	120.2965	1.886	8	120.2965	3.555	8	119.8319	1.826	47	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	119.5600	0.000	1	119.5600	0.000	1	119.8319	1.826	47	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NCuC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NCuC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	116.2650	0.870	2	116.2650	0.756	2	119.8319	1.826	47	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(H)2	N(CNN)(H)2	122.0153	1.056	3	122.0153	1.114	3	119.8319	1.826	47	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)3	N(CNN)(H)2	N(CNN)(H)2	C(NHH)3	N(CNN)(H)2	N(CNN)(H)2	119.8169	0.619	31	119.8169	0.383	31	119.8319	1.826	47	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NZnC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	C(NZnC)(NHH)2	N(CNN)(H)2	N(CNN)(H)2	118.9660	0.000	1	118.9660	0.000	1	119.8319	1.826	47	119.8613	1.829	48	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)2(H)	C(NCH)(NHH)2	N(CNN)(H)2	N(CNN)2(H)	119.1360	2.988	2	119.1360	8.930	2	116.8165	11.477	4	116.8165	11.477	4	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:1:1:	3:3:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NCoH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	C(NCoH)(NCH)(NHH)	N(CNN)(H)2	N(CNN)2(H)	114.4970	1.995	2	114.4970	3.982	2	116.8165	11.477	4	116.8165	11.477	4	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NC)(H)	N(CC[6a]N)(H)2	C(C[6a]C[6a]N[6a])(NHH)(NHN)	N(CC[6a]N)(NC)(H)	N(CC[6a]N)(H)2	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	118.2445	3.572	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:2:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-2:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(NC)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(NC)(H)	N(CNN)(H)2	116.9080	0.000	1	116.9080	0.000	1	116.9080	0.000	1	118.2445	3.572	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CCO)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CCO)(CNN)(H)	N(CNN)(H)2	123.1640	0.000	1	123.1640	0.000	1	123.1640	0.000	1	119.6684	1.604	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(H)2	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(H)2	119.7230	0.990	4	119.7230	0.980	4	119.3581	0.756	16	119.6684	1.604	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(NCH)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(NCH)(H)	N(CNN)(H)2	119.1188	0.978	4	119.1188	0.957	4	119.3581	0.756	16	119.6684	1.604	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)2(NHN)	N(CNN)(NHH)(H)	N(CNN)(H)2	C(NHH)2(NHN)	N(CNN)(NHH)(H)	N(CNN)(H)2	119.2953	0.823	8	119.2953	0.677	8	119.3581	0.756	16	119.6684	1.604	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:1:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	C(NC[6a]H)(NHH)2	N(C[6a]C[6a]2)(CNN)(H)	N(CNN)(H)2	121.1380	0.000	1	121.1380	0.000	1	121.1380	0.000	1	119.6684	1.604	18	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:N-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	C(NHH)(NHN)2	N(CNN)(NHH)(H)	N(CNN)(NHH)(H)	119.5525	0.409	2	119.5525	0.168	2	119.5525	0.168	2	119.5525	0.168	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:1:	3:4:4:	C[6]-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6]C[6]2)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]N)(H)	N(CC[6]N)(CH3)2	C(C[6]C[6]2)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(CC[6]N)(H)	N(CC[6]N)(CH3)2	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	118.5580	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:3:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CNN)2	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CNN)2	N(CNN)(H)2	115.1800	0.000	1	115.1800	0.000	1	114.9580	0.099	2	114.9580	0.099	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:3:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	N(CNN)(H)2	114.7360	0.000	1	114.7360	0.000	1	114.9580	0.099	2	114.9580	0.099	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:3:3:	4:4:3:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CH3)2(CNN)	C(NC[6a]C)(NPtH)(NCC)	N(C[6a]C[6a]2)(CNN)2	N(CH3)2(CNN)	115.4090	0.000	1	115.4090	0.000	1	115.4090	0.000	1	115.4090	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	3:4:3:	3:4:3:	N-3:N-3:N-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(NRhH)	N(C[6a]C[6a]2)(CH3)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	C(NC[6a]C)2(NRhH)	N(C[6a]C[6a]2)(CH3)(CNN)	N(C[6a]C[6a]2)(CH3)(CNN)	114.8390	0.000	1	114.8390	0.000	1	114.8390	0.000	1	114.8390	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:C-3:N-3:	C[6]-4:C-3:H-1:	C-3:H-1:H-1:	C(NC[6]H)(CCH)(NHH)	N(C[6]C[6]2H)(CCN)(H)	N(CCN)(H)2	C(NC[6]H)(CCH)(NHH)	N(C[6]C[6]2H)(CCN)(H)	N(CCN)(H)2	114.6857	0.345	3	114.6857	0.119	3	114.6857	0.119	3	118.1624	9.128	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CCHH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CCHH)(CNN)(H)	N(CNN)(H)2	120.4325	1.286	4	120.4325	1.653	4	120.2484	1.409	5	118.1624	9.128	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:3:1:	3:1:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(NCH)(NHH)2	N(CC[6a]HH)(CNN)(H)	N(CNN)(H)2	C(NCH)(NHH)2	N(CC[6a]HH)(CNN)(H)	N(CNN)(H)2	119.5120	0.000	1	119.5120	0.000	1	120.2484	1.409	5	118.1624	9.128	8	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCoC)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NCoC)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)(NHH)2	N(CH3)2(CNN)	N(CNN)(H)2	C(NCC)(NHH)2	N(CH3)2(CNN)	N(CNN)(H)2	120.2940	0.000	1	120.2940	0.000	1	120.2319	1.013	13	120.2319	1.013	13	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	3:1:1:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-3:H-1:H-1:	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CNN)(H)2	120.2267	1.051	12	120.2267	1.105	12	120.2319	1.013	13	120.2319	1.013	13	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	3:3:1:	C-3:N-3:N-3:	C-4:S-4:C-3:	C-3:C-3:H-1:	C(CC[6a]H)(NCH)(NCS)	N(CC[6a]HH)(SC[6a]OO)(CCN)	N(CCN)(CCO)(H)	C(CC[6a]H)(NCH)(NCS)	N(CC[6a]HH)(SC[6a]OO)(CCN)	N(CCN)(CCO)(H)	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	112.8260	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	4:4:3:	C-3:N-3:N-3:	S-4:C-4:C-3:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)2	N(SCOO)(CH3)(CCN)	N(SCOO)(CH3)(CCN)	C(CC[6a]H)(NCS)2	N(SCOO)(CH3)(CCN)	N(SCOO)(CH3)(CCN)	114.6150	0.000	1	114.6150	0.000	1	114.6150	0.000	1	117.1341	5.147	15	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CH3)2(CNN)	119.5537	1.408	6	119.5537	1.982	6	117.3141	5.020	14	117.1341	5.147	15	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCuC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCuC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	115.4330	0.414	3	115.4330	0.171	3	117.3141	5.020	14	117.1341	5.147	15	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NMgH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NMgH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	115.3800	0.571	3	115.3800	0.326	3	117.3141	5.020	14	117.1341	5.147	15	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NMnC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NMnC)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	115.8490	0.000	1	115.8490	0.000	1	117.3141	5.020	14	117.1341	5.147	15	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NZnH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NZnH)(NCC)2	N(CH3)2(CNN)	N(CH3)2(CNN)	116.7870	0.000	1	116.7870	0.000	1	117.3141	5.020	14	117.1341	5.147	15	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	4:3:3:	4:3:1:	3:1:1:	P-4:N-3:N-3:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(PC[6a]Se2)(NCH)(NHH)	N(CCHH)(CNP)(H)	N(CNP)(H)2	C(PC[6a]Se2)(NCH)(NHH)	N(CCHH)(CNP)(H)	N(CNP)(H)2	123.7040	0.103	2	123.7040	0.011	2	123.7040	0.011	2	123.7040	0.011	2	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP2_SP3	C	N	N	6:3:3:	3:4:1:	3:4:1:	C[3x3,3x5,12x6]-6:N-3:N-3:	C-3:C-4:H-1:	C-3:C-4:H-1:	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(NCH)2	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Ni)(NCH)2	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	N(CC[3x3,3x5,12x6]N)(CCCH)(H)	123.5470	0.000	1	123.5470	0.000	1	123.5470	0.000	1	123.5470	0.000	1	117.3248	6.571	331	117.3248	6.571	331
930	956	956	0:SP2_SP3_SP3	C	N	N	3:2:3:	4:3:1:	4:4:3:	N-3:N-2:N-3:	C[6]-4:C-3:H-1:	C-4:C-4:C-3:	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)(H)	N(CH3)2(CNN)	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)(H)	N(CH3)2(CNN)	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:2:1:	3:3:2:	N-3:N-3:O-1:	C-3:O-2:H-1:	C-3:C-3:O-2:	C(NCO)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)2(OC)	C(NCO)(NHO)(O)	N(CNO)(OC)(H)	N(CNO)2(OC)	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	112.7460	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:3:1:	3:1:1:	N-3:N-3:O-1:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(NHH)(NHN)(O)	N(CNO)(NCH)(H)	N(CNO)(H)2	C(NHH)(NHN)(O)	N(CNO)(NCH)(H)	N(CNO)(H)2	114.5365	0.385	2	114.5365	0.149	2	114.5365	0.149	2	114.5365	0.149	2	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(O)	N(C[6a]C[6,6a]C[6a])(CNO)(H)	N(C[6a]C[6a]2)(CNO)(H)	110.8000	0.000	1	110.8000	0.000	1	110.8000	0.000	1	117.2650	8.337	7	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:3:1:	3:3:1:	N-3:N-3:S-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	C(NC[6a]H)2(S)	N(C[6a]C[6a]2)(CNS)(H)	N(C[6a]C[6a]2)(CNS)(H)	118.3425	0.502	6	118.3425	0.252	6	118.3425	0.252	6	117.2650	8.337	7	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:4:3:	3:1:1:	N-3:N-3:O-1:	N[6]-3:C-4:C-3:	C-3:H-1:H-1:	C(NN[6]C)(NHH)(O)	N(N[6]C[6]2)(CH3)(CNO)	N(CNO)(H)2	C(NN[6]C)(NHH)(O)	N(N[6]C[6]2)(CH3)(CNO)	N(CNO)(H)2	116.9970	0.000	1	116.9970	0.000	1	116.9970	0.000	1	116.9970	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C-3:C-4:C-3:	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(CC[6a]C)(CH3)(CNO)	C(NC[6a]C)(NCC)(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(CC[6a]C)(CH3)(CNO)	116.2390	0.000	1	116.2390	0.000	1	116.2390	0.000	1	116.0845	0.177	4	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:4:3:	3:4:3:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(O)	N(C[6a]C[6a]2)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CNO)	116.0330	0.499	3	116.0330	0.249	3	116.0330	0.249	3	116.0845	0.177	4	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:4:3:	4:3:2:	N-3:N-3:O-1:	C[6a]-3:C-4:C-3:	C-4:C-3:N-2:	C(NC[6a]C)(NCN)(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	N(CC[6a]HH)(CNO)(NC)	C(NC[6a]C)(NCN)(O)	N(C[6a]C[6a]2)(CCHH)(CNO)	N(CC[6a]HH)(CNO)(NC)	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	114.8450	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	3:4:3:	4:4:3:	N-3:N-3:O-1:	C-3:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(O)	N(CC[6a]N)(CCCH)(CNO)	N(CCHH)2(CNO)	C(NCC)2(O)	N(CC[6a]N)(CCCH)(CNO)	N(CCHH)2(CNO)	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	N(CC3)(CNO)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC3)(CNO)(H)	N(CNO)(NCH)(H)	118.1510	0.000	1	118.1510	0.000	1	114.4873	10.518	3	115.7218	13.107	4	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-3:N-3:H-1:	C(NCH)(NHN)(O)	N(CC[6a]CC)(CNO)(H)	N(CNO)(NCH)(H)	C(NCH)(NHN)(O)	N(CC[6a]CC)(CNO)(H)	N(CNO)(NCH)(H)	112.6555	0.950	2	112.6555	0.902	2	114.4873	10.518	3	115.7218	13.107	4	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	3:3:1:	N-3:N-3:S-1:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(NCH)(NHN)(S)	N(CC[6]CC)(CNS)(H)	N(NC[6]H)(CNS)(H)	C(NCH)(NHN)(S)	N(CC[6]CC)(CNS)(H)	N(NC[6]H)(CNS)(H)	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	115.7218	13.107	4	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC3)(CNO)(H)	N(CC3)(CNO)(H)	C(NCH)2(O)	N(CC3)(CNO)(H)	N(CC3)(CNO)(H)	112.9400	0.000	1	112.9400	0.000	1	115.1340	1.377	6	114.8839	1.200	8	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CCHH)(CNO)(H)	C(NCH)2(O)	N(CCCH)(CNO)(H)	N(CCHH)(CNO)(H)	114.8900	0.000	1	114.8900	0.000	1	115.1340	1.377	6	114.8839	1.200	8	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6]CH)(CNO)(H)	N(CC[6]CH)(CNO)(H)	C(NCH)2(O)	N(CC[6]CH)(CNO)(H)	N(CC[6]CH)(CNO)(H)	116.0280	0.000	1	116.0280	0.000	1	115.1340	1.377	6	114.8839	1.200	8	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6]HH)(CNO)(H)	N(CC[6]HH)(CNO)(H)	C(NCH)2(O)	N(CC[6]HH)(CNO)(H)	N(CC[6]HH)(CNO)(H)	115.9880	0.000	1	115.9880	0.000	1	115.1340	1.377	6	114.8839	1.200	8	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	C(NCH)2(O)	N(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CNO)(H)	115.4790	0.495	2	115.4790	0.245	2	115.1340	1.377	6	114.8839	1.200	8	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:1:	4:3:1:	4:3:1:	N-3:N-3:O-1:	N-4:C-3:H-1:	N-4:C-3:H-1:	C(NHN)2(O)	N(NH3)(CNO)(H)	N(NH3)(CNO)(H)	C(NHN)2(O)	N(NH3)(CNO)(H)	N(NH3)(CNO)(H)	114.1335	0.129	2	114.1335	0.017	2	114.1335	0.017	2	114.8839	1.200	8	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:N-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(NH)	N(CNN)(H)2	N(CNN)(H)2	C(NHH)2(NH)	N(CNN)(H)2	N(CNN)(H)2	114.6340	0.000	1	114.6340	0.000	1	114.6340	0.000	1	116.0820	4.193	2	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	3:1:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)2(ONi)	N(CNO)(H)2	N(CNO)(H)2	C(NHH)2(ONi)	N(CNO)(H)2	N(CNO)(H)2	117.5300	0.000	1	117.5300	0.000	1	117.5300	0.000	1	116.0820	4.193	2	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[6])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	115.5700	0.000	1	115.5700	0.000	1	115.7235	0.047	2	115.7235	0.047	2	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	3:3:1:	3:3:1:	N-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	C(NC[6a]H)2(NC[6a])	N(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(CNN)(H)	115.8770	0.000	1	115.8770	0.000	1	115.7235	0.047	2	115.7235	0.047	2	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	4:3:1:	4:3:1:	N-3:N-3:S-2:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCH)2(SAg)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	C(NCH)2(SAg)	N(CCHH)(CNS)(H)	N(CCHH)(CNS)(H)	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	4:4:3:	4:3:1:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-3:H-1:	C(NCC)(NCH)(NC)	N(CCHH)(CH3)(CNN)	N(CCCH)(CNN)(H)	C(NCC)(NCH)(NC)	N(CCHH)(CH3)(CNN)	N(CCCH)(CNN)(H)	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	112.2870	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NC)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NC)	N(CH3)2(CNN)	N(CH3)2(CNN)	114.5100	0.000	1	114.5100	0.000	1	114.6653	0.720	6	114.6653	0.720	6	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NGe)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NGe)	N(CH3)2(CNN)	N(CH3)2(CNN)	113.1610	0.000	1	113.1610	0.000	1	114.6653	0.720	6	114.6653	0.720	6	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:2:	4:4:3:	4:4:3:	N-3:N-3:N-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NH)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NH)	N(CH3)2(CNN)	N(CH3)2(CNN)	115.0803	0.456	4	115.0803	0.208	4	114.6653	0.720	6	114.6653	0.720	6	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:3:	3:1:1:	3:1:1:	N-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(NHH)3	N(CNN)(H)2	N(CNN)(H)2	C(NHH)3	N(CNN)(H)2	N(CNN)(H)2	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:3:	3:3:3:	3:1:1:	N-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	N(CNN)(H)2	C(NC[6a]Pt)(NC[6a]C)(NHH)	N(C[6a]C[6a]2)(CN[6]N)(CNN)	N(CNN)(H)2	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NC[6a]Pd)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NC[6a]Pd)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	115.1585	4.728	2	115.1585	22.358	2	115.3250	7.493	4	116.0364	8.150	5	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(NCoC)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	C(NCoC)(NCH)2	N(CCCH)(CNN)(H)	N(CCCH)(CNN)(H)	115.4915	0.094	2	115.4915	0.009	2	115.3250	7.493	4	116.0364	8.150	5	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:3:	4:3:1:	4:3:1:	N-3:N-3:N-3:	C[6]-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[5]Pd)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	C(NC[5]Pd)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	N(C[6]C[6]2H)(CNN)(H)	118.8820	0.000	1	118.8820	0.000	1	118.8820	0.000	1	116.0364	8.150	5	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	3:3:3:	4:4:3:	4:4:3:	N-3:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CH3)2(CNN)	C(NCC)2(NHH)	N(CH3)2(CNN)	N(CH3)2(CNN)	119.2810	0.635	2	119.2810	0.403	2	119.2810	0.403	2	119.2810	0.403	2	115.6922	6.050	52	115.6922	6.050	52
930	956	956	0:SP2_SP3_SP3	C	N	N	4:3:3:	4:4:3:	4:4:3:	N-4:N-3:N-3:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(NLi3)(NCC)2	N(CCHH)2(CNN)	N(CCHH)2(CNN)	C(NLi3)(NCC)2	N(CCHH)2(CNN)	N(CCHH)2(CNN)	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	108.8070	0.000	1	115.6922	6.050	52	115.6922	6.050	52