956	310	643	0:SP2_SP2_SP3	N	Ge	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-3:Ge-4:	N-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	Ge(NC[6a]P)(Cl)3	C[6a](C[6a]C[6a]C)2(NGeP)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	Ge(NC[6a]P)(Cl)3	C[6a](C[6a]C[6a]C)2(NGeP){1|C<3>,2|H<1>}	119.5050	0.000	1	119.5050	0.000	1	119.5050	0.000	1	119.5050	0.000	1	120.9993	51.693	7	120.9993	51.693	7
956	310	643	0:SP2_SP2_SP3	N	Ge	C[6a]	3:4:1:	3:3:3:3:	3:3:3:	C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(GeC[6a]3)(H)	Ge(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH)	N(C[6a]C[6a]2)(GeC[6a]3)(H)	Ge(C[6a]C[6a]2)3(NC[6a]H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NGeH){1|C<3>,2|H<1>}	130.4805	0.135	2	130.4805	0.018	2	130.4805	0.018	2	130.4805	0.018	2	120.9993	51.693	7	120.9993	51.693	7
956	310	643	0:SP2_SP2_SP3	N	Ge	C[6a]	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:Ge-4:B-3:	N-3:Br-1:Br-1:Br-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(GeBr3)(BNN)	Ge(NC[6a]B)(Br)3	C[6a](C[6a]C[6a]C)2(NGeB)	N(C[6a]C[6a]2)(GeBr3)(BNN)	Ge(NC[6a]B)(Br)3	C[6a](C[6a]C[6a]C)2(NGeB){1|C<3>,2|H<1>}	120.0790	1.652	2	120.0790	2.728	2	120.0790	2.728	2	120.0790	2.728	2	120.9993	51.693	7	120.9993	51.693	7
956	310	643	0:SP2_SP2_SP3	N	Ge	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:Ge-4:Si-4:	N-3:Ge-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	Ge(NC[6a]Si)(GeHN)(H)2	C[6a](C[6a]C[6a]C)2(NGeSi)	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	Ge(NC[6a]Si)(GeHN)(H)2	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	114.0770	0.000	1	120.9993	51.693	7	120.9993	51.693	7
956	310	643	0:SP2_SP2_SP3	N	Ge	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:Ge-4:Si-4:	C[5]-4:N-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[6a](C[6a]C[6a]C)2(NGeSi)	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	120.9993	51.693	7	120.9993	51.693	7
956	310	770	0:SP2_SP2_SP3	N	Ge	B	3:4:3:	3:1:1:1:	3:3:3:	C[6a]-3:Ge-4:B-3:	N-3:Br-1:Br-1:Br-1:	N-3:N-3:N-3:	N(C[6a]C[6a]2)(GeBr3)(BNN)	Ge(NC[6a]B)(Br)3	B(NC[6a]Ge)(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(GeBr3)(BNN)	Ge(NC[6a]B)(Br)3	B(NC[6a]Ge)(NC[6a]H)(NCC)	108.2905	0.377	2	108.2905	0.142	2	108.2905	0.142	2	108.2905	0.142	2	108.2905	0.142	2	108.2905	0.142	2
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	3:4:4:	3:3:1:1:	3:4:4:4:	C[6a]-3:Ge-4:Si-4:	N-3:Ge-3:H-1:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	Ge(NC[6a]Si)(GeHN)(H)2	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(GeGeHH)(SiC3)	Ge(NC[6a]Si)(GeHN)(H)2	Si(NC[6a]Ge)(CH3)3	121.2570	0.000	1	121.2570	0.000	1	121.2570	0.000	1	121.2570	0.000	1	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	3:4:4:	4:3:1:1:	3:4:4:4:	C[6a]-3:Ge-4:Si-4:	C[5]-4:N-3:Cl-1:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	Si(NC[6a]Ge)(CCCH)3	N(C[6a]C[6a]2)(GeC[5]ClH)(SiC3)	Ge(C[5]C[5]2H)(NC[6a]Si)(Cl)(H)	Si(NC[6a]Ge)(CCCH)3	125.5740	0.000	1	125.5740	0.000	1	125.5740	0.000	1	125.5740	0.000	1	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	4:4:4:	2:2:3:3:	3:4:4:4:	Ge-4:Si-4:Si-4:	Se-2:Se-2:N-3:N-3:	N-3:C-4:C-4:C-4:	N(GeSe2N)(SiC3)2	Ge(SeC[6a])2(NSi2)2	Si(NGeSi)(CH3)3	N(GeSe2N)(SiC3)2	Ge(SeC[6a])2(NSi2)2	Si(NGeSi)(CH3)3	121.1605	2.535	2	121.1605	6.426	2	121.1605	6.426	2	121.1605	6.426	2	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	4:4:4:	2:3:3:2:	3:4:4:4:	Ge-4:Si-4:Si-4:	O-2:N-3:N-3:O-2:	N-3:C-4:C-4:C-4:	N(GeNOO)(SiC3)2	Ge(OC[5a])(NSi2)2(OC)	Si(NGeSi)(CH3)3	N(GeNOO)(SiC3)2	Ge(OC[5a])(NSi2)2(OC)	Si(NGeSi)(CH3)3	119.2558	1.469	4	119.2558	2.159	4	119.2558	2.159	4	119.2558	2.159	4	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	4:4:4:	3:3:2:2:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:N-3:S-2:O-2:	N-3:C-4:C-4:C-4:	N(GeNOS)(SiC3)2	Ge(NSi2)2(SPd)(OS)	Si(NGeSi)(CH3)3	N(GeNOS)(SiC3)2	Ge(NSi2)2(SPd)(OS)	Si(NGeSi)(CH3)3	119.6720	4.357	2	119.6720	18.985	2	119.6720	18.985	2	119.6720	18.985	2	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:N-3:N-3:Cl-1:	N-3:C-4:C-4:C-4:	N(GeClNN)(SiC3)2	Ge(NSi2)3(Cl)	Si(NGeSi)(CH3)3	N(GeClNN)(SiC3)2	Ge(NSi2)3(Cl)	Si(NGeSi)(CH3)3	121.6505	5.865	2	121.6505	34.404	2	121.6505	34.404	2	121.6117	38.310	6	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ge-4:Si-4:Si-4:	P-3:N-3:N-3:Cl-1:	N-3:C-4:C-4:C-4:	N(GeClNP)(SiC3)2	Ge(PC[6a]2)(NSi2)2(Cl)	Si(NGeSi)(CH3)3	N(GeClNP)(SiC3)2	Ge(PC[6a]2)(NSi2)2(Cl)	Si(NGeSi)(CH3)3	121.5923	7.237	4	121.5923	52.381	4	121.5923	52.381	4	121.6117	38.310	6	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Ge-4:C-4:Si-4:	C[6a]-3:N-3:N-3:N-3:	N-3:C-4:C-4:C-4:	N(GeC[6a]NN)(CCHH)(SiC3)	Ge(C[6a]C[6a]2)(NSiC)3	Si(NGeC)(CH3)3	N(GeC[6a]NN)(CCHH)(SiC3)	Ge(C[6a]C[6a]2)(NSiC)3	Si(NGeC)(CH3)3	129.1100	0.000	1	129.1100	0.000	1	129.1100	0.000	1	122.1630	17.465	5	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP2_SP3_SP3	N	Ge	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Ge-4:Si-4:Si-4:	N[5a]-3:N[5a]-3:N-3:N-3:	N-3:C-4:C-4:C-4:	N(GeN[5a]2N)(SiC3)2	Ge(N[5a]C[5a]N[5a])2(NSi2)2	Si(NGeSi)(CH3)3	N(GeN[5a]2N)(SiC3)2	Ge(N[5a]C[5a]N[5a])2(NSi2)2	Si(NGeSi)(CH3)3	120.4262	1.783	4	120.4262	3.178	4	120.4262	3.178	4	122.1630	17.465	5	121.2383	16.892	21	121.2383	16.892	21
956	310	880	0:SP3_SP3_SP3	N	Ge	Si	4:4:4:	2:2:3:3:	3:4:4:4:	Ge-4:Si-4:Si-4:	Se-2:Se-2:N-3:N-3:	N-3:C-4:C-4:C-4:	N(GeSe2N)(SiC3)2	Ge(SeC[6a])2(NC[6]C)(NSi2)	Si(NGeSi)(CH3)3	N(GeSe2N)(SiC3)2	Ge(SeC[6a])2(NC[6]C)(NSi2)	Si(NGeSi)(CH3)3	119.5373	2.160	4	119.5373	4.666	4	120.0263	4.973	6	120.0263	4.973	6	120.6036	13.462	22	120.6036	13.462	22
956	310	880	0:SP3_SP3_SP3	N	Ge	Si	4:4:4:	2:2:3:3:	3:4:4:4:	Ge-4:Si-4:Si-4:	Se-2:Se-2:N-3:N-3:	N-3:C-4:C-4:C-4:	N(GeSe2N)(SiC3)2	Ge(SeC[6a])2(NSi2)2	Si(NGeSi)(CH3)3	N(GeSe2N)(SiC3)2	Ge(SeC[6a])2(NSi2)2	Si(NGeSi)(CH3)3	121.0045	2.828	2	121.0045	7.996	2	120.0263	4.973	6	120.0263	4.973	6	120.6036	13.462	22	120.6036	13.462	22
956	310	880	0:SP3_SP3_SP3	N	Ge	Si	4:4:4:	3:3:2:2:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:N-3:S-2:O-2:	N-3:C-4:C-4:C-4:	N(GeNOS)(SiC3)2	Ge(NSi2)2(SPd)(OS)	Si(NGeSi)(CH3)3	N(GeNOS)(SiC3)2	Ge(NSi2)2(SPd)(OS)	Si(NGeSi)(CH3)3	118.7435	2.129	6	118.7435	4.531	6	118.7435	4.531	6	118.7435	4.531	6	120.6036	13.462	22	120.6036	13.462	22
956	310	880	0:SP3_SP3_SP3	N	Ge	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:N-3:N-3:Cl-1:	N-3:C-4:C-4:C-4:	N(GeClNN)(SiC3)2	Ge(NSi2)3(Cl)	Si(NGeSi)(CH3)3	N(GeClNN)(SiC3)2	Ge(NSi2)3(Cl)	Si(NGeSi)(CH3)3	121.6485	4.787	4	121.6485	22.920	4	121.6485	22.920	4	120.7739	17.750	8	120.6036	13.462	22	120.6036	13.462	22
956	310	880	0:SP3_SP3_SP3	N	Ge	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:N-3:P-3:Cl-1:	N-3:C-4:C-4:C-4:	N(GeClNP)(SiC3)2	Ge(NSi2)2(PClC)(Cl)	Si(NGeSi)(CH3)3	N(GeClNP)(SiC3)2	Ge(NSi2)2(PClC)(Cl)	Si(NGeSi)(CH3)3	119.8992	4.057	4	119.8992	16.456	4	119.8992	16.456	4	120.7739	17.750	8	120.6036	13.462	22	120.6036	13.462	22
956	310	880	0:SP3_SP3_SP3	N	Ge	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Ge-4:C-4:Si-4:	C[6a]-3:N-3:N-3:N-3:	N-3:C-4:C-4:C-4:	N(GeC[6a]NN)(CCHH)(SiC3)	Ge(C[6a]C[6a]2)(NSiC)3	Si(NGeC)(CH3)3	N(GeC[6a]NN)(CCHH)(SiC3)	Ge(C[6a]C[6a]2)(NSiC)3	Si(NGeC)(CH3)3	127.2345	0.100	2	127.2345	0.010	2	127.2345	0.010	2	127.2345	0.010	2	120.6036	13.462	22	120.6036	13.462	22
956	310	930	0:SP2_SP2_SP3	N	Ge	C	4:3:4:	3:3:3:1:	3:3:2:	Ge-4:C-3:C-4:	C[6a]-3:N-3:N-3:F-1:	C[6a]-3:N-3:N-2:	N(GeC[6a]FN)(CC[6a]N)(CC3)	Ge(C[6a]C[6a]2)(NCC)2(F)	C(C[6a]C[6a]2)(NGeC)(NC)	N(GeC[6a]FN)(CC[6a]N)(CC3)	Ge(C[6a]C[6a]2)(NCC)2(F)	C(C[6a]C[6a]2)(NGeC)(NC)	98.5981	1.229	2	98.5981	1.511	2	98.5981	1.511	2	98.5981	1.511	2	108.3055	126.271	4	108.3055	126.271	4
956	310	930	0:SP2_SP2_SP3	N	Ge	C	4:4:3:	2:2:3:3:	3:2:4:	C[6]-4:Ge-4:C-3:	Se-2:Se-2:N-3:N-3:	N-3:N-2:C-4:	N(C[6]C[6]2H)(GeSe2N)(CCN)	Ge(SeC[6a])2(NC[6]C)(NSi2)	C(NC[6]Ge)(NC[6])(CH3)	N(C[6]C[6]2H)(GeSe2N)(CCN)	Ge(SeC[6a])2(NC[6]C)(NSi2)	C(NC[6]Ge)(NC[6])(CH3)	118.0130	0.602	2	118.0130	0.363	2	118.0130	0.363	2	118.0130	0.363	2	108.3055	126.271	4	108.3055	126.271	4
956	310	945	0:SP2_SP3_SP3	N	Ge	P	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-3:Ge-4:	N-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	Ge(NC[6a]P)(Cl)3	P(C[6a]C[6a]2)2(NC[6a]Ge)	N(C[6a]C[6a]2)(PC[6a]2)(GeCl3)	Ge(NC[6a]P)(Cl)3	P(C[6a]C[6a]2)2(NC[6a]Ge)	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1	112.1230	0.000	1
956	310	951	0:SP2_SP-NON_SP3	N	Ge	H	3:4:1:	3:3:3:3:	3:	C[6a]-3:Ge-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(GeC[6a]3)(H)	Ge(C[6a]C[6a]2)3(NC[6a]H)	H(NC[6a]Ge)	N(C[6a]C[6a]2)(GeC[6a]3)(H)	Ge(C[6a]C[6a]2)3(NC[6a]H)	H(NC[6a]Ge)	114.7395	0.063	2	114.7395	0.004	2	114.7395	0.004	2	114.7395	0.004	2	114.7395	0.004	2	114.7395	0.004	2
956	310	951	0:SP3_SP-NON_SP3	N	Ge	H	4:1:1:	3:3:3:1:	3:	Ge-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	N-3:	N(GeC[6a]2H)(H)2	Ge(C[6a]C[6a]2)2(NHH)(H)	H(NGeH)	N(GeC[6a]2H)(H)2	Ge(C[6a]C[6a]2)2(NHH)(H)	H(NGeH)	109.9475	3.067	2	109.9475	9.405	2	109.9475	9.405	2	109.9475	9.405	2	111.6407	13.303	3	111.6407	13.303	3
956	310	951	0:SP3_SP-NON_SP3	N	Ge	H	4:3:1:	3:3:3:1:	3:	Ge-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	N-3:	N(GeC[6a]2H)(NHH)(H)	Ge(C[6a]C[6a]2)2(NHN)(H)	H(NGeN)	N(GeC[6a]2H)(NHH)(H)	Ge(C[6a]C[6a]2)2(NHN)(H)	H(NGeN)	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	115.0270	0.000	1	111.6407	13.303	3	111.6407	13.303	3
956	310	956	0:SP3_SP3_SP3	N	Ge	N	4:3:1:	3:3:3:1:	3:1:1:	Ge-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	N-3:H-1:H-1:	N(GeC[6a]2H)(NHH)(H)	Ge(C[6a]C[6a]2)2(NHN)(H)	N(NGeH)(H)2	N(GeC[6a]2H)(NHH)(H)	Ge(C[6a]C[6a]2)2(NHN)(H)	N(NGeH)(H)2	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1
956	362	490	0:SP3_SP3_SPD6	N	C[5x3,3x5,11x6]	C	6:4:1:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,3x5,11x6]-6:C-4:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:N-3:	N-3:C-4:C-4:C-4:	N(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CC3)(H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]MoH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]MoH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(NCH)	C(NC[5x3,3x5,11x6]H)(CH3)3	N(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CC3)(H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]MoH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]MoH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(NCH){1|B<6>,1|C<3>,3|H<1>}	C(NC[5x3,3x5,11x6]H)(CH3)3	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	127.2765	0.927	6
956	362	490	0:SP3_SP3_SPD6	N	C[5x3,5x5,5x6]	C	6:4:1:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,5x5,5x6]-6:C-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:N-3:	N-3:C-4:C-4:C-4:	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH)	C(NC[5x3,5x5,5x6]H)(CH3)3	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH){1|Fe<10>,5|H<1>}	C(NC[5x3,5x5,5x6]H)(CH3)3	128.2210	0.554	2	127.4578	0.913	5	127.4578	0.913	5	127.4578	0.913	5	127.4578	0.913	5	127.2765	0.927	6
956	362	490	0:SP3_SP3_SPD6	N	C[5x3,5x5,5x6]	C	6:4:1:	6:6:6:6:6:3:	3:4:4:4:	C[5x3,5x5,5x6]-6:C-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:N-3:	N-3:C-4:C-4:C-4:	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH)	C(NC[5x3,5x5,5x6]H)(CH3)3	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH){1|Ru<10>,5|H<1>}	C(NC[5x3,5x5,5x6]H)(CH3)3	126.9490	0.837	3	127.4578	0.913	5	127.4578	0.913	5	127.4578	0.913	5	127.4578	0.913	5	127.2765	0.927	6
956	362	930	0:SP2_SP2_SPD6	N	C[5x3,5x5,20x6]	C	6:3:1:	6:6:6:6:6:3:	3:1:1:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-3:	N-3:H-1:O-1:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(NCH)	C(NC[5x3,5x5,20x6]H)(H)(O)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(NCH){1|B<6>,5|H<1>}	C(NC[5x3,5x5,20x6]H)(H)(O)	125.0940	0.000	1	125.0940	0.000	1	125.0940	0.000	1	125.0940	0.000	1	125.0940	0.000	1	125.0940	0.000	1
956	362	951	0:SP2_SP-NON_SPD6	N	C[5x3,5x5,20x6]	H	6:3:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C-3:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-3:	N-3:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(NCH)	H(NC[5x3,5x5,20x6]C)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CHO)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(NCH){1|B<6>,5|H<1>}	H(NC[5x3,5x5,20x6]C)	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1	116.0550	0.000	1
956	362	951	0:SP3_SP-NON_SPD6	N	C[5x3,3x5,11x6]	H	6:4:1:	6:6:6:6:6:3:	3:	C[5x3,3x5,11x6]-6:C-4:H-1:	B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-6:B[5x3,5x5,5x6]-6:N-3:	N-3:	N(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CC3)(H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]MoH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]MoH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(NCH)	H(NC[5x3,3x5,11x6]C)	N(C[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2B[5x3,5x5,5x6])(CC3)(H)	C[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]MoH)(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]MoH)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(NCH){1|B<6>,1|C<3>,3|H<1>}	H(NC[5x3,3x5,11x6]C)	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	108.2520	0.000	1	114.7272	18.306	8
956	362	951	0:SP3_SP-NON_SPD6	N	C[5x3,5x5,20x6]	H	6:1:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:N-3:	N-3:	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4I)4(NHH)	H(NC[5x3,5x5,20x6]H)	N(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4I)4(NHH){1|B<6>,5|I<1>}	H(NC[5x3,5x5,20x6]H)	113.6590	1.274	2	113.6590	1.624	2	113.6590	1.624	2	113.6590	1.624	2	113.6590	1.624	2	114.7272	18.306	8
956	362	951	0:SP3_SP-NON_SPD6	N	C[5x3,5x5,5x6]	H	6:4:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,5x6]-6:C-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:N-3:	N-3:	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH)	H(NC[5x3,5x5,5x6]C)	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH){1|Fe<10>,5|H<1>}	H(NC[5x3,5x5,5x6]C)	114.4115	0.664	2	116.4496	16.868	5	116.4496	16.868	5	116.4496	16.868	5	116.4496	16.868	5	114.7272	18.306	8
956	362	951	0:SP3_SP-NON_SPD6	N	C[5x3,5x5,5x6]	H	6:4:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,5x6]-6:C-4:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:N-3:	N-3:	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH)	H(NC[5x3,5x5,5x6]C)	N(C[5x3,5x5,5x6]B[5x3,3x5,11x6]5)(CC3)(H)	C[5x3,5x5,5x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]H)4(B[5x3,3x5,11x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(NCH){1|Ru<10>,5|H<1>}	H(NC[5x3,5x5,5x6]C)	117.8083	5.157	3	116.4496	16.868	5	116.4496	16.868	5	116.4496	16.868	5	116.4496	16.868	5	114.7272	18.306	8
956	390	643	0:SP2_SP-NON_SP2	N	Ge	C[6a]	3:4:1:	3:	3:3:3:	C[6a]-3:Si-4:Ge-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SiC3)(Ge)	Ge(NC[6a]Si)	C[6a](C[6a]C[6a]C)2(NGeSi)	N(C[6a]C[6a]2)(SiC3)(Ge)	Ge(NC[6a]Si)	C[6a](C[6a]C[6a]C)2(NGeSi){1|C<3>,2|H<1>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1
956	390	880	0:SP2_SP-NON_SP3	N	Ge	Si	3:4:1:	3:	3:4:4:4:	C[6a]-3:Si-4:Ge-1:	N-3:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(Ge)	Ge(NC[6a]Si)	Si(NC[6a]Ge)(CH3)3	N(C[6a]C[6a]2)(SiC3)(Ge)	Ge(NC[6a]Si)	Si(NC[6a]Ge)(CH3)3	131.3800	0.000	1	131.3800	0.000	1	131.3800	0.000	1	131.3800	0.000	1	131.3800	0.000	1	131.3800	0.000	1
956	394	466	0:SP3_SP3_SPD5	N	P[5,6]	C[6]	5:4:1:	2:2:2:2:3:	4:4:3:1:	P[5,6]-5:C[6]-4:H-1:	O[5]-2:O[5]-2:O[6]-2:O[6]-2:N-3:	C[6]-4:C[6]-4:N-3:H-1:	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	P[5,6](O[5]C[5,6a])2(O[6]C[6])2(NC[6]H)	C[6](C[6]C[6]HH)2(NP[5,6]H)(H)	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	P[5,6](O[5]C[5,6a])2(O[6]C[6])2(NC[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(NP[5,6]H)(H){1|C<4>,4|H<1>}	130.9390	0.000	1	130.9390	0.000	1	130.9390	0.000	1	130.9390	0.000	1	130.9390	0.000	1	130.9390	0.000	1
956	394	490	0:SP3_SP3_SPD5	N	P[5]	C	5:4:1:	3:2:2:2:3:	3:1:1:1:	P[5]-5:C-4:H-1:	N[5]-3:O[5]-2:O-2:O-2:N-3:	N-3:H-1:H-1:H-1:	N(P[5]N[5]O[5]OO)(CH3)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	C(NP[5]H)(H)3	N(P[5]N[5]O[5]OO)(CH3)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	C(NP[5]H)(H)3	133.0150	0.000	1	133.0150	0.000	1	133.0150	0.000	1	133.0150	0.000	1	128.1732	58.412	4	128.1732	58.412	4
956	394	490	0:SP3_SP3_SPD5	N	P[5]	C	5:4:1:	3:2:2:2:3:	3:4:4:1:	P[5]-5:C-4:H-1:	N[5]-3:O[5]-2:O-2:O-2:N-3:	N-3:C-4:C-4:H-1:	N(P[5]N[5]O[5]OO)(CCCH)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	C(NP[5]H)(CH3)2(H)	N(P[5]N[5]O[5]OO)(CCCH)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	C(NP[5]H)(CH3)2(H)	133.2110	0.000	1	133.2110	0.000	1	133.2110	0.000	1	133.2110	0.000	1	128.1732	58.412	4	128.1732	58.412	4
956	394	490	0:SP3_SP3_SPD5	N	P[5]	C	5:4:4:	2:2:2:2:3:	3:4:4:1:	P[5]-5:C-4:C-4:	O[5]-2:O[5]-2:O-2:O-2:N-3:	N-3:C-4:C-4:H-1:	N(P[5]O[5]2OO)(CCCH)2	P[5](O[5]C[5,6a])2(OC[6a])2(NCC)	C(NP[5]C)(CH3)2(H)	N(P[5]O[5]2OO)(CCCH)2	P[5](O[5]C[5,6a])2(OC[6a])2(NCC){2|C<3>}	C(NP[5]C)(CH3)2(H)	123.2335	8.810	2	123.2335	77.613	2	123.2335	77.613	2	123.2335	77.613	2	128.1732	58.412	4	128.1732	58.412	4
956	394	643	0:SP2_SP2_SPD5	N	P[5,5]	C[6a]	5:3:1:	3:2:2:3:1:	3:3:3:	P[5,5]-5:C[6a]-3:H-1:	N[5,5]-3:O[5]-2:O[5]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H)	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)2(NP[5,5]H){1|C<3>,2|H<1>}	129.9420	0.000	1	129.9420	0.000	1	129.9420	0.000	1	129.9420	0.000	1	126.1790	10.631	3	126.1790	10.631	3
956	394	643	0:SP2_SP2_SPD5	N	P[5,5]	C[6a]	5:3:1:	3:3:3:3:1:	3:3:3:	P[5,5]-5:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:N[5]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NP[5,5]H)	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H){4|C<3>}	C[6a](C[6a]C[6a]C)2(NP[5,5]H){1|C<3>,2|H<1>}	124.2975	0.145	2	124.2975	0.021	2	124.2975	0.021	2	124.2975	0.021	2	126.1790	10.631	3	126.1790	10.631	3
956	394	951	0:SP2_SP-NON_SPD5	N	P[5,5]	H	5:3:1:	3:2:2:3:1:	3:	P[5,5]-5:C[6a]-3:H-1:	N[5,5]-3:O[5]-2:O[5]-2:N-3:H-1:	N-3:	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H)	H(NP[5,5]C[6a])	N(P[5,5]N[5,5]O[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5]2)(O[5]C[5])2(NC[6a]H)(H){2|C<4>,2|H<1>}	H(NP[5,5]C[6a])	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	115.9330	0.000	1	116.0617	0.305	3	117.9732	7.194	5
956	394	951	0:SP2_SP-NON_SPD5	N	P[5,5]	H	5:3:1:	3:3:3:3:1:	3:	P[5,5]-5:C[6a]-3:H-1:	N[5,5]-3:N[5]-3:N[5]-3:N-3:H-1:	N-3:	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H)	H(NP[5,5]C[6a])	N(P[5,5]N[5,5]N[5]2H)(C[6a]C[6a]2)(H)	P[5,5](N[5,5]C[5,6a]2)(N[5]C[5,6a]C)2(NC[6a]H)(H){4|C<3>}	H(NP[5,5]C[6a])	116.1260	0.765	2	116.1260	0.585	2	116.1260	0.585	2	116.1260	0.585	2	116.0617	0.305	3	117.9732	7.194	5
956	394	951	0:SP2_SP-NON_SPD5	N	P[5]	H	5:1:1:	2:2:2:2:3:	3:	P[5]-5:H-1:H-1:	O[5]-2:O[5]-2:O-2:O-2:N-3:	N-3:	N(P[5]O[5]2OO)(H)2	P[5](O[5]C[5,6a])2(OC[6a])2(NHH)	H(NP[5]H)	N(P[5]O[5]2OO)(H)2	P[5](O[5]C[5,6a])2(OC[6a])2(NHH){2|C<3>}	H(NP[5]H)	120.8405	0.872	2	120.8405	0.760	2	120.8405	0.760	2	120.8405	0.760	2	120.8405	0.760	2	117.9732	7.194	5
956	394	951	0:SP3_SP-NON_SPD5	N	P[5,6]	H	5:4:1:	2:2:2:2:3:	3:	P[5,6]-5:C[6]-4:H-1:	O[5]-2:O[5]-2:O[6]-2:O[6]-2:N-3:	N-3:	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	P[5,6](O[5]C[5,6a])2(O[6]C[6])2(NC[6]H)	H(NP[5,6]C[6])	N(P[5,6]O[5]2O[6]2)(C[6]C[6]2H)(H)	P[5,6](O[5]C[5,6a])2(O[6]C[6])2(NC[6]H){1|C<4>,2|C<3>,4|H<1>}	H(NP[5,6]C[6])	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	112.0000	0.000	1	112.9573	0.689	3
956	394	951	0:SP3_SP-NON_SPD5	N	P[5]	H	5:4:1:	3:2:2:2:3:	3:	P[5]-5:C-4:H-1:	N[5]-3:O[5]-2:O-2:O-2:N-3:	N-3:	N(P[5]N[5]O[5]OO)(CCCH)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	H(NP[5]C)	N(P[5]N[5]O[5]OO)(CCCH)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	H(NP[5]C)	113.3970	0.000	1	113.3970	0.000	1	113.4360	0.003	2	113.4360	0.003	2	113.4360	0.003	2	112.9573	0.689	3
956	394	951	0:SP3_SP-NON_SPD5	N	P[5]	H	5:4:1:	3:2:2:2:3:	3:	P[5]-5:C-4:H-1:	N[5]-3:O[5]-2:O-2:O-2:N-3:	N-3:	N(P[5]N[5]O[5]OO)(CH3)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH)	H(NP[5]C)	N(P[5]N[5]O[5]OO)(CH3)(H)	P[5](N[5]N[5]C)(O[5]C[5])(OC[6a])2(NCH){1|O<2>}	H(NP[5]C)	113.4750	0.000	1	113.4750	0.000	1	113.4360	0.003	2	113.4360	0.003	2	113.4360	0.003	2	112.9573	0.689	3
956	417	951	0:SP2_SP-NON_SP2	N	Ge[6a]	H	3:3:1:	3:3:3:	3:	Ge[6a]-3:N-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N-3:	N(Ge[6a]N[6a]2)(NHH)(H)	Ge[6a](N[6a]C[6a]2)2(NHN)	H(NGe[6a]N)	N(Ge[6a]N[6a]2)(NHH)(H)	Ge[6a](N[6a]C[6a]2)2(NHN){1|C<4>,6|C<3>}	H(NGe[6a]N)	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1	106.1270	0.000	1
956	417	956	0:SP2_SP2_SP3	N	Ge[6a]	N	3:3:1:	3:3:3:	3:1:1:	Ge[6a]-3:N-3:H-1:	N[6a]-3:N[6a]-3:N-3:	N-3:H-1:H-1:	N(Ge[6a]N[6a]2)(NHH)(H)	Ge[6a](N[6a]C[6a]2)2(NHN)	N(NGe[6a]H)(H)2	N(Ge[6a]N[6a]2)(NHH)(H)	Ge[6a](N[6a]C[6a]2)2(NHN){1|C<4>,6|C<3>}	N(NGe[6a]H)(H)2	134.6030	0.000	1	134.6030	0.000	1	134.6030	0.000	1	134.6030	0.000	1	134.6030	0.000	1	134.6030	0.000	1
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	3:4:4:	4:4:3:1:	4:4:3:1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	117.7465	1.077	2	117.7465	1.160	2	117.7465	1.160	2	117.7465	1.160	2	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:2:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(BFe)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	N(C[6]C[6]2H)2(BFe)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	114.4075	0.941	2	114.4075	0.886	2	115.2983	2.824	3	115.2983	2.824	3	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:2:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(BIr)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	N(C[6]C[6]2H)2(BIr)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	117.0800	0.000	1	117.0800	0.000	1	115.2983	2.824	3	115.2983	2.824	3	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(BClRu)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	N(C[6]C[6]2H)2(BClRu)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	112.4770	0.000	1	112.4770	0.000	1	112.6377	0.340	3	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(BIrH)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	N(C[6]C[6]2H)2(BIrH)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	113.2840	0.000	1	113.2840	0.000	1	112.6377	0.340	3	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(BN[6]Fe)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	C[6](C[6]C[6]HH)2(NC[6]B)(H)	N(C[6]C[6]2H)2(BN[6]Fe)	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]B)(H){1|C<4>,4|H<1>}	112.1520	0.000	1	112.1520	0.000	1	112.6377	0.340	3	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	117.1414	0.438	7	117.1345	0.165	8	117.7855	3.674	18	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|N<3>,4|C<4>}	117.0860	0.000	1	117.1345	0.165	8	117.7855	3.674	18	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CC[6]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CC[6]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	115.8410	0.000	1	115.8410	0.000	1	117.7855	3.674	18	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CC[6a]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CC[6a]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	117.1805	0.497	4	117.1805	0.247	4	117.7855	3.674	18	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	121.7093	0.449	3	121.7093	0.202	3	117.7855	3.674	18	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(COS)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(COS)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	117.8930	0.000	1	117.8930	0.000	1	117.7855	3.674	18	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CPdN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CPdN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	115.4790	0.000	1	115.4790	0.000	1	117.7855	3.674	18	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[3]-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(C[3]C[3]2)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H)	N(C[6]C[6]2H)2(C[3]C[3]2)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[3]C[6])(H){1|C<4>,4|H<1>}	119.5110	0.942	4	119.5110	0.888	4	119.5110	0.888	4	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	122.9597	0.887	19	122.9597	0.786	19	122.9597	0.786	19	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(NOO)	C[6](C[6]C[6]HH)2(NC[6]N)(H)	C[6](C[6]C[6]HH)2(NC[6]N)(H)	N(C[6]C[6]2H)2(NOO)	C[6](C[6]C[6]HH)2(NC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]N)(H){1|C<4>,4|H<1>}	121.1750	0.000	1	121.1750	0.000	1	121.1750	0.000	1	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(PC[6a]N[6])	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	N(C[6]C[6]2H)2(PC[6a]N[6])	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	117.7060	0.000	1	117.7060	0.000	1	117.9420	0.111	2	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(PCl2)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	N(C[6]C[6]2H)2(PCl2)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	118.1780	0.000	1	118.1780	0.000	1	117.9420	0.111	2	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:Si[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(Si[4]N[4]2)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H)	N(C[6]C[6]2H)2(Si[4]N[4]2)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H){1|C<4>,4|H<1>}	116.2910	0.000	1	116.2910	0.000	1	116.2910	0.000	1	119.7017	11.014	48	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CRhNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CRhNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	122.9670	0.000	1	122.9670	0.000	1	122.2250	0.376	4	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CSbNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CSbNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	121.8010	0.454	2	121.8010	0.206	2	122.2250	0.376	4	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CZnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CZnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	122.3310	0.000	1	122.3310	0.000	1	122.2250	0.376	4	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(PC[6]N[5]N)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	N(C[6]C[6]2H)2(PC[6]N[5]N)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	116.4320	0.000	1	116.4320	0.000	1	118.9711	9.055	7	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	120.5138	3.254	4	120.5138	10.586	4	118.9711	9.055	7	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(PHPW)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	N(C[6]C[6]2H)2(PHPW)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	117.1555	0.118	2	117.1555	0.014	2	118.9711	9.055	7	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H)	C[6](C[6]C[6]HH)2(NC[6]S)(H)	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|C<4>,4|H<1>}	118.4835	0.146	2	118.7990	0.309	3	118.7990	0.309	3	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP2_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H)	C[6](C[6]C[6]HH)2(NC[6]S)(H)	N(C[6]C[6]2H)2(SCOO)	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]HH)2(NC[6]S)(H){1|N<3>,4|C<4>}	119.4300	0.000	1	118.7990	0.309	3	118.7990	0.309	3	119.8639	6.720	14	119.4800	10.223	67	119.4800	10.223	67
956	466	466	0:SP3_SP3_SP3	N	C[3x6]	C[3x6]	4:4:2:	4:4:4:3:	4:4:4:3:	C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N(C[3x6]C[6,6]3)2(OC)	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O)	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O)	N(C[3x6]C[6,6]3)2(OC)	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O){3|C<4>,3|H<1>}	120.6970	0.000	1	120.6970	0.000	1	120.6970	0.000	1	120.6970	0.000	1	120.6970	0.000	1	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[3x6]	4:4:1:	3:3:3:4:	4:4:4:3:	C[3x6]-4:C[6]-4:H-1:	C[6]-3:C[6]-3:N-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N(C[3x6]C[6,6]3)(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3)	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H)	N(C[3x6]C[6,6]3)(C[6]C[6]2C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(NC[3x6]H)(CH3){3|C<3>}	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H){3|C<4>,3|H<1>}	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	124.5430	0.000	1	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H)	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6]H)(H){1|C<4>,4|H<1>}	116.6080	0.000	1	116.6080	0.000	1	116.4975	0.199	4	116.4975	0.199	4	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:1:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	N(C[6]C[6]2H)2(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	116.4607	0.539	3	116.4607	0.290	3	116.4975	0.199	4	116.4975	0.199	4	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	2:4:3:3:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C)	C[6](C[6]C[6,6]HH)2(NC[6]C)(H)	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)2(NC[6]C)(H){2|H<1>,3|C<4>}	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	122.2140	0.000	1	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CC3)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CC3)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	112.7960	0.000	1	112.7960	0.000	1	117.3434	8.629	8	117.0564	8.291	9	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CCCH)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CCCH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	118.6005	0.759	2	118.6005	0.576	2	117.3434	8.629	8	117.0564	8.291	9	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	N(C[6]C[6]2H)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	116.5400	0.000	1	116.5400	0.000	1	117.3434	8.629	8	117.0564	8.291	9	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CCHO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CCHO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	116.4940	0.000	1	116.4940	0.000	1	117.3434	8.629	8	117.0564	8.291	9	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	116.5010	2.087	2	116.5010	4.357	2	117.3434	8.629	8	117.0564	8.291	9	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(CSnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	N(C[6]C[6]2H)2(CSnNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	122.7140	0.000	1	122.7140	0.000	1	117.3434	8.629	8	117.0564	8.291	9	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	C[6](C[6]C[6]HH)2(NC[6]P)(H)	N(C[6]C[6]2H)2(PHNN)	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NC[6]P)(H){1|C<4>,4|H<1>}	114.7610	0.000	1	114.7610	0.000	1	114.7610	0.000	1	117.0564	8.291	9	117.0733	6.600	16	117.6896	9.476	18
956	466	466	0:SP3_SP3_SP3	N	C[6]	C[6]	5:4:4:	4:4:3:1:	4:4:3:1:	Nb[3]-5:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N(Nb[3]C[3,6]N[3]HN)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H)	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H)	N(Nb[3]C[3,6]N[3]HN)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(NNb[3]C[6])(H){1|C<4>,4|H<1>}	115.7305	0.845	2	115.7305	0.714	2	115.7305	0.714	2	115.7305	0.714	2	117.0733	6.600	16	117.6896	9.476	18
956	466	474	0:SP3_SP3_SP3	N	C[6]	C[5]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H)	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H){2|C<3>,3|H<1>}	117.8600	0.064	2	117.7217	0.059	3	117.7217	0.059	3	117.7217	0.059	3	118.1352	2.794	5	118.1352	2.794	5
956	466	474	0:SP3_SP3_SP3	N	C[6]	C[5]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:N-3:H-1:	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H)	N(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NC[5]H)(H){1|C<4>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(NC[6]H)(H){2|C<3>,3|H<1>}	117.4450	0.000	1	117.7217	0.059	3	117.7217	0.059	3	117.7217	0.059	3	118.1352	2.794	5	118.1352	2.794	5
956	466	474	0:SP3_SP3_SP3	N	C[6]	C[5]	4:4:1:	4:4:3:1:	3:3:3:1:	C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:N[5]-3:N-3:H-1:	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H)	N(C[5]C[5,6a]N[5]H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H){1|H<1>,2|C<3>,2|O<1>}	120.9660	0.000	1	120.9660	0.000	1	120.9660	0.000	1	120.9660	0.000	1	118.1352	2.794	5	118.1352	2.794	5
956	466	474	0:SP3_SP3_SP3	N	C[6]	C[5]	4:4:1:	4:4:3:1:	4:4:3:1:	C[5]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5]-4:N-3:H-1:	N(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H)	N(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|N<3>,4|C<4>}	C[5](C[5]C[5]HH)(C[5]N[5]CC)(NC[6]H)(H){1|O<1>,2|C<4>}	116.5450	0.000	1	116.5450	0.000	1	116.5450	0.000	1	116.5450	0.000	1	118.1352	2.794	5	118.1352	2.794	5
956	466	486	0:SP3_SP3_SP3	N	C[6]	C[3]	4:4:1:	3:4:4:3:	4:4:3:1:	C[6]-4:C[3]-4:H-1:	C[5a]-3:C[6]-4:C[6]-4:N-3:	C[3]-4:C[3]-4:N-3:H-1:	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H)	C[3](C[3]C[3]HH)2(NC[6]H)(H)	N(C[6]C[5a]C[6]2)(C[3]C[3]2H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]HH)2(NC[3]H){1|C<4>,1|N<3>,2|N<2>,4|H<1>}	C[3](C[3]C[3]HH)2(NC[6]H)(H)	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1
956	466	490	0:SP2_SP3_SP3	N	C[3x6]	C	3:4:4:	4:4:4:3:	3:4:1:1:	C[6a]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:H-1:H-1:	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C)	C(NC[3x6]C[6a])(CCHH)(H)2	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C){3|C<4>,3|H<1>}	C(NC[3x6]C[6a])(CCHH)(H)2	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	119.4455	2.211	2	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[3x6]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[3x6]-4:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-3:H-1:H-1:	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C)	C(NC[3x6]C[6a])(CCH)(H)2	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C){3|C<4>,3|H<1>}	C(NC[3x6]C[6a])(CCH)(H)2	118.3940	0.000	1	118.3940	0.000	1	118.3940	0.000	1	118.3940	0.000	1	119.4455	2.211	2	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C-3:C-4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H)	C(NC[6,6]C)(CHHO)(H)2	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H){2|C<4>,8|H<1>}	C(NC[6,6]C)(CHHO)(H)2	117.1640	0.000	1	117.1640	0.000	1	117.1640	0.000	1	117.1640	0.000	1	117.1640	0.000	1	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C(NC[6a]C[6])(H)3	116.2005	0.192	2	116.2005	0.037	2	115.7710	0.572	3	115.7710	0.572	3	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C(NC[6a]C[6])(H)3	114.9120	0.000	1	114.9120	0.000	1	115.7710	0.572	3	115.7710	0.572	3	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:1:1:1:	C[5]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[5]C)(H)	C(NC[5]C[6])(H)3	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[5]C)(H){1|C<4>,4|H<1>}	C(NC[5]C[6])(H)3	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	118.7139	0.517	10	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(NC[6a]C[6])(H)3	118.7040	0.000	1	118.7040	0.000	1	118.8023	0.493	9	118.7139	0.517	10	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(NC[6a]C[6])(H)3	117.1770	0.000	1	117.1770	0.000	1	118.8023	0.493	9	118.7139	0.517	10	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(NC[6a]C[6])(H)3	119.0486	0.381	7	119.0486	0.145	7	118.8023	0.493	9	118.7139	0.517	10	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:3:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:4:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(CC[6a]HO)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(NC[6a]C[6])(CC[6a]HO)(H)2	115.3660	0.000	1	115.3660	0.000	1	115.3660	0.000	1	116.5480	2.794	2	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:4:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:P-4:H-1:H-1:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(PC[6a]2Hg)(H)2	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(NC[6a]C[6])(PC[6a]2Hg)(H)2	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	116.5480	2.794	2	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:H-1:H-1:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(PC[6a]2Cu)(NC[6]2)(H)2	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6a]2Cu)(NC[6]2)(H)2	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6]C)(CH3)	C[6](C[6]C[6,6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6]C)(CH3)	C[6](C[6]C[6,6]HH)2(NCC)(H){2|H<1>,3|C<4>}	C(NC[6]C)(H)3	114.5920	1.704	2	114.5920	2.904	2	115.8060	3.053	4	116.7240	3.477	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	116.5960	0.000	1	116.5960	0.000	1	115.8060	3.053	4	116.7240	3.477	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	C(NC[6]C)(H)3	117.4440	0.000	1	117.4440	0.000	1	115.8060	3.053	4	116.7240	3.477	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:P-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(H)3	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(H)3	117.9480	1.385	3	117.9480	1.919	3	117.9480	1.919	3	116.7240	3.477	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:1:	4:2:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]O[6]H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	116.4290	0.000	1	116.4290	0.000	1	116.4290	0.000	1	116.4290	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:1:	4:3:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	114.9310	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.3550	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:2:3:1:	3:3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:3:3:1:	3:3:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:N-3:H-1:	C[5a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	C(C[5a]C[5a]O[5a])(NC[6]C)(H)2	119.8840	0.000	1	119.8840	0.000	1	119.8840	0.000	1	119.8840	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:3:4:3:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2C)(CH3)(COO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	C(NC[6]C)(H)3	N(C[6]C[6]2C)(CH3)(COO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]C)(H)3	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(NC[6]C)(H)3	124.6180	1.379	2	124.6180	1.901	2	124.6180	1.901	2	120.2163	10.498	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	119.4280	0.000	1	119.4280	0.000	1	118.4556	1.710	5	120.2163	10.498	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(CNS)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)(CNS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	116.4640	0.000	1	116.4640	0.000	1	118.4556	1.710	5	120.2163	10.498	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]C)(H)3	119.8220	0.000	1	119.8220	0.000	1	118.4556	1.710	5	120.2163	10.498	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(CSS)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)(CSS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	118.2820	0.000	2	118.2820	0.000	2	118.4556	1.710	5	120.2163	10.498	7	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:B-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C[6](C[6]C[6]HH)2(NBC)(H)	C(C[6a]C[6a]2)(NC[6]B)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C[6](C[6]C[6]HH)2(NBC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]B)(H)2	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	116.0865	0.675	2	116.0865	0.456	2	117.7703	8.734	3	117.7703	8.734	3	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	121.1380	0.000	1	121.1380	0.000	1	117.7703	8.734	3	117.7703	8.734	3	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CCO)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(CCO)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	C(NC[6]C)(CCHH)(H)2	116.3250	0.000	1	116.3250	0.000	1	115.8150	2.366	9	115.8150	2.366	9	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CHN)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(CHN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCHH)(H)2	117.9515	1.258	2	117.9515	1.582	2	115.8150	2.366	9	115.8150	2.366	9	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CIrN)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(CIrN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCHH)(H)2	115.0968	1.069	4	115.0968	1.143	4	115.8150	2.366	9	115.8150	2.366	9	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CRhN)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(CRhN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCHH)(H)2	114.8600	0.799	2	114.8600	0.638	2	115.8150	2.366	9	115.8150	2.366	9	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	3:2:3:1:	4:4:3:1:	C[6]-4:S-4:C-4:	C[6]-3:O[6]-2:N-3:H-1:	C-4:C-4:N-3:H-1:	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H)	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCCH)	C[6](C[6]C[6]Br)(O[6]N[6])(NCS)(H){1|C<3>,1|C<4>,1|H<1>}	C(CC[6a]HH)(CC[6]HH)(NC[6]S)(H)	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:S-4:C-4:	C[5a,6]-3:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H)	C(NC[6]S)(H)3	N(C[6]C[5a,6]C[6]H)(SC[6a]OO)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(NCS)(H){1|C<4>,2|C<3>,2|H<1>}	C(NC[6]S)(H)3	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	118.1210	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	3:3:3:1:	4:3:4:1:	C[6]-4:S-4:C-4:	N[5a,6]-3:C[6]-3:N-3:H-1:	C-4:N-3:C-4:H-1:	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H)	C(CC[6]HH)(NC[6]S)(CH3)(H)	N(C[6]N[5a,6]C[6]H)(SC[6a]OO)(CCCH)	C[6](N[5a,6]N[5a,6]C[5a])(C[6]C[6]Cl)(NCS)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(CC[6]HH)(NC[6]S)(CH3)(H)	121.8680	0.000	1	121.8680	0.000	1	121.8680	0.000	1	121.8680	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:1:	3:2:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-2:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H)	C(NC[6]S)(CC)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCS)(H){1|C<3>,3|H<1>}	C(NC[6]S)(CC)(H)2	120.2340	0.000	1	120.2340	0.000	1	120.2340	0.000	1	120.2340	0.000	1	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:P-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(PN3)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(H)3	N(C[6]C[6]2H)(CH3)(PN3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(H)3	116.5147	0.197	4	116.5147	0.039	4	116.5147	0.039	4	117.2245	3.475	17	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(PC[6a]CrN)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(H)3	N(C[6]C[6]2H)(PC[6a]CrN)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(H)3	115.9105	0.425	2	115.9105	0.181	2	116.7844	0.949	11	117.2245	3.475	17	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(H)3	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(H)3	116.9786	0.964	9	116.9786	0.930	9	116.7844	0.949	11	117.2245	3.475	17	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H)	C(NC[6]S)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(NCS)(H){2|C<3>,2|H<1>}	C(NC[6]S)(H)3	118.5790	0.000	1	118.5790	0.000	1	121.0645	12.355	2	117.2245	3.475	17	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C(NC[6]S)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C(NC[6]S)(H)3	123.5500	0.000	1	123.5500	0.000	1	121.0645	12.355	2	117.2245	3.475	17	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:S-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H)	C(C[6a]C[6a]2)(NC[6]S)(H)2	N(C[6]C[5,6]C[6]H)(CC[6a]HH)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(NCS)(H){2|H<1>,6|C<4>}	C(C[6a]C[6a]2)(NC[6]S)(H)2	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	120.5323	1.309	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H)	C(C[6a]C[6a]2)(NC[6]S)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]S)(H)2	119.6150	0.000	1	119.6150	0.000	1	120.6362	1.343	4	120.5323	1.309	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)2(NCS)(H)	C(C[6a]C[6a]2)(NC[6]S)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HO)2(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(NC[6]S)(H)2	119.6730	0.000	1	119.6730	0.000	1	120.6362	1.343	4	120.5323	1.309	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C(C[6a]C[6a]2)(NC[6]S)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]S)(H)2	121.8380	0.000	1	121.6285	0.088	2	120.6362	1.343	4	120.5323	1.309	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H)	C(C[6a]C[6a]2)(NC[6]S)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SNOO)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCS)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]S)(H)2	121.4190	0.000	1	121.6285	0.088	2	120.6362	1.343	4	120.5323	1.309	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H)	C(NC[6]S)(CCH)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(CCH)(H)2	119.2320	0.000	1	119.2320	0.000	1	119.2320	0.000	1	120.5323	1.309	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C(NC[6]S)(CHHO)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(CHHO)(H)2	119.7275	0.902	2	119.7275	0.813	2	119.5405	0.392	6	119.5405	0.392	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H)	C(NC[6]S)(CCHH)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(CCHH)(H)2	119.0310	0.000	1	119.0310	0.000	1	119.5405	0.392	6	119.5405	0.392	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H)	C(NC[6]S)(CH3)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(CH3)(H)2	119.5857	0.636	3	119.5857	0.405	3	119.5405	0.392	6	119.5405	0.392	6	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP2_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:S-4:C-4:	C[5,6]-4:C[6]-4:N-3:H-1:	C-4:N-3:H-1:H-1:	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H)	C(CC[5]HH)(NC[6]S)(H)2	N(C[6]C[5,6]C[6]H)(SC[6a]OO)(CCHH)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NCS)(H){1|C<3>,2|C<4>,8|H<1>}	C(CC[5]HH)(NC[6]S)(H)2	118.5365	0.139	2	118.5365	0.019	2	118.5365	0.019	2	118.5365	0.019	2	118.0043	5.245	86	118.0273	5.146	89
956	466	490	0:SP3_SP3_SP3	N	C[3x6]	C	4:4:1:	4:4:4:3:	3:3:1:1:	C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N-3:H-1:H-1:	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6a]C[6a,6a]2)(NC[3x6]H)(H)2	115.0310	0.000	1	115.0310	0.000	1	116.5385	4.545	2	116.7297	2.382	3	116.3231	4.054	12	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[3x6]	C	4:4:1:	4:4:4:3:	3:3:1:1:	C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N-3:H-1:H-1:	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	N(C[3x6]C[6,6]3)(CC[6a]HH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[3x6]H)(H)2	118.0460	0.000	1	118.0460	0.000	1	116.5385	4.545	2	116.7297	2.382	3	116.3231	4.054	12	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[3x6]	C	4:4:1:	4:4:4:3:	3:3:1:1:	C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-3:H-1:H-1:	N(C[3x6]C[6,6]3)(CCHH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(NC[3x6]H)(CN[5]O)(H)2	N(C[3x6]C[6,6]3)(CCHH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|O<2>,2|H<1>,3|C<4>}	C(NC[3x6]H)(CN[5]O)(H)2	117.1120	0.000	1	117.1120	0.000	1	117.1120	0.000	1	116.7297	2.382	3	116.3231	4.054	12	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[3x6]	C	4:4:1:	4:4:4:3:	3:4:3:1:	C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:C-4:N-3:H-1:	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	N(C[3x6]C[6,6]3)(CC[6a]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(CC[6a]HN)(NC[3x6]H)(H)	118.3780	1.106	3	118.3780	1.224	3	118.3780	1.224	3	118.3780	1.224	3	116.3231	4.054	12	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[3x6]	C	4:4:4:	4:4:4:3:	3:4:1:1:	C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:H-1:H-1:	N(C[3x6]C[6,6]3)(CCHH)2	C[3x6](C[6,6]C[3x6]HH)3(NCC)	C(NC[3x6]C)(CHHN)(H)2	N(C[3x6]C[6,6]3)(CCHH)2	C[3x6](C[6,6]C[3x6]HH)3(NCC){3|C<4>,3|H<1>}	C(NC[3x6]C)(CHHN)(H)2	115.0923	1.739	6	115.0923	3.025	6	115.0923	3.025	6	115.0923	3.025	6	116.3231	4.054	12	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6,6]	C	3:4:4:	4:4:3:1:	3:3:1:1:	C[6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C(NC[6,6]C[6a])(CCH)(H)2	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C(NC[6,6]C[6a])(CCH)(H)2	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	113.0079	5.485	13	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6,6]	C	4:4:1:	4:3:4:3:	3:1:1:1:	C[6,6]-4:C-4:H-1:	C[6,6]-4:C[6]-3:C[6]-4:N-3:	N-3:H-1:H-1:H-1:	N(C[6,6]C[6,6]C[6]2)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH)	C(NC[6,6]H)(H)3	N(C[6,6]C[6,6]C[6]2)(CH3)(H)	C[6,6](C[6,6]C[6]2O)(C[6]N[6,6]O)(C[6]C[6]HH)(NCH){4|H<1>,5|C<4>}	C(NC[6,6]H)(H)3	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	115.3550	0.000	1	113.0079	5.485	13	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6,6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6,6]-4:C-4:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6,6]C[3x6]2H)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	C(NC[6,6]H)(CHHO)(H)2	N(C[6,6]C[3x6]2H)(CCHH)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	C(NC[6,6]H)(CHHO)(H)2	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.5980	0.000	1	113.0079	5.485	13	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6,6]	C	4:4:4:	4:4:2:3:	3:1:1:1:	C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6]-4:O[6]-2:N-3:	N-3:H-1:H-1:H-1:	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC)	C(NC[6,6]C)(H)3	N(C[6,6]C[6,6]C[6]O[6])(CH3)2	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(O[6]C[6,6])(NCC){1|C<4>,3|C<3>,5|H<1>}	C(NC[6,6]C)(H)3	114.5485	0.074	2	114.5485	0.006	2	114.5485	0.006	2	114.5485	0.006	2	113.0079	5.485	13	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:C-4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C(NC[6,6]C)(H)3	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(NC[6,6]C)(H)3	110.8620	1.545	4	110.9425	2.403	6	110.9425	2.403	6	110.9425	2.403	6	113.0079	5.485	13	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6,6]-4:C-4:C-4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H)	C(NC[6,6]C)(H)3	N(C[6,6]C[3x6]2H)(CH3)2	C[6,6](C[3x6]C[6,6]O[6,6]H)2(NCC)(H){1|N<4>,1|O<2>,2|C<4>,2|H<1>}	C(NC[6,6]C)(H)3	111.1035	2.186	2	110.9425	2.403	6	110.9425	2.403	6	110.9425	2.403	6	113.0079	5.485	13	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6,6]	C	4:4:4:	4:4:3:2:	3:4:1:1:	C[6,6]-4:C-4:C-4:	C[3x6]-4:C[6,6]-4:N-3:C-2:	N-3:C-4:H-1:H-1:	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN)	C(NC[6,6]C)(CCHH)(H)2	N(C[6,6]C[3x6]C[6,6]C)(CCHH)2	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(NCC)(CN){1|H<1>,4|C<3>}	C(NC[6,6]C)(CCHH)(H)2	114.3195	0.305	2	114.3195	0.093	2	114.3195	0.093	2	114.3195	0.093	2	113.0079	5.485	13	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C(NC[6a]C[6])(H)3	114.8170	0.694	2	114.8170	0.482	2	114.5680	0.427	3	114.5680	0.427	3	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C(NC[6a]C[6])(H)3	114.0700	0.000	1	114.0700	0.000	1	114.5680	0.427	3	114.5680	0.427	3	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	3:1:1:1:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	C(NC[6a]C[6])(H)3	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C(NC[6a]C[6])(H)3	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:H-1:H-1:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(PC[6a]2Cu)(NC[6]2)(H)2	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6a]2Cu)(NC[6]2)(H)2	115.4410	0.000	1	115.4410	0.000	1	115.4105	0.002	2	115.4105	0.002	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	3:4:4:	4:4:3:1:	4:3:1:1:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:H-1:H-1:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(PC[6a]2Pd)(NC[6]2)(H)2	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6a]2Pd)(NC[6]2)(H)2	115.3800	0.000	1	115.3800	0.000	1	115.4105	0.002	2	115.4105	0.002	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[6]-4:P-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(H)3	N(C[6]C[6]2H)(PC[6a]N)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(H)3	116.2540	0.000	1	116.2540	0.000	1	116.2540	0.000	1	116.2540	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	2:4:4:3:	3:3:1:1:	C[6]-4:C-4:H-1:	O[6]-2:C[6]-4:C-4:N-3:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]O[6]C)(CC[6a]HH)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)(NCH){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:3:3:1:	4:3:4:1:	C[6]-4:C-4:H-1:	C[6]-3:C[6]-3:N-3:H-1:	C-4:N-3:C-4:H-1:	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]H)2(NCH)(H)	C(CC[6a]CH)(NC[6]H)(CH3)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]H)2(NCH)(H){1|C<3>,2|H<1>}	C(CC[6a]CH)(NC[6]H)(CH3)(H)	123.2400	0.000	1	123.2400	0.000	1	123.2400	0.000	1	123.2400	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:3:3:3:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:H-1:H-1:	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|O<2>,4|H<1>,6|C<3>}	C(NC[6]H)(CHHN)(H)2	115.0060	0.000	1	118.6287	2.047	9	118.1680	3.942	10	118.1680	3.942	10	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:3:3:3:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:H-1:H-1:	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH)	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCH){1|S<2>,4|H<1>,6|C<3>}	C(NC[6]H)(CHHN)(H)2	119.0815	0.480	8	118.6287	2.047	9	118.1680	3.942	10	118.1680	3.942	10	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:3:3:3:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-3:	N-3:C-4:H-1:H-1:	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH)	C(NC[6]H)(CCHH)(H)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(NCH){4|O<2>,7|C<3>}	C(NC[6]H)(CCHH)(H)2	114.0220	0.000	1	114.0220	0.000	1	118.1680	3.942	10	118.1680	3.942	10	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6,6a]C[5,6]H)(CC[6a]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	113.8440	1.302	4	113.8440	1.695	4	113.8440	1.695	4	113.8440	1.695	4	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:1:	3:3:3:1:	C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:H-1:	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)2(NC[6]H)(H)	N(C[6]C[6,6a]C[6]H)(CC[6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)2(NC[6]H)(H)	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|S<2>,1|S<4>}	C(NC[6]H)(CH3)(H)2	116.4660	0.000	1	116.4660	0.000	1	116.4660	0.000	1	114.5610	7.258	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	N[5,6]-3:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]N[5,6]C[6]H)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CCHH)(H)2	N(C[6]N[5,6]C[6]H)(CCHH)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(NC[6]H)(CCHH)(H)2	112.6560	0.000	1	112.6560	0.000	1	112.6560	0.000	1	114.5610	7.258	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C-4:H-1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[3]-4:N-3:H-1:H-1:	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H)	C(C[3]C[3]2H)(NC[6]H)(H)2	N(C[6]C[6,6]C[6]H)(CC[3]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[3]C[3]2H)(NC[6]H)(H)2	115.6395	0.474	4	115.6395	0.225	4	115.6395	0.225	4	115.5125	0.878	6	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5]-4:N-3:H-1:H-1:	N(C[6]C[6,6a]C[6]H)(CC[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C(C[5]C[5]2H)(NC[6]H)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5]2H)(NC[6]H)(H)2	113.9310	0.000	1	113.9310	0.000	1	113.9310	0.000	1	115.5125	0.878	6	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:1:	4:3:1:1:	C[6]-4:C-4:H-1:	N[6]-3:C[6]-4:N-3:H-1:	C[5]-4:N-3:H-1:H-1:	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	N(C[6]C[6]N[6]H)(CC[5]HH)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|O<1>}	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	115.5125	0.878	6	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	3:4:3:3:	3:1:1:1:	C[6]-4:C-4:H-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6]C[6a]C[6]2)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH)	C(NC[6]H)(H)3	N(C[6]C[6a]C[6]2)(CH3)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C(NC[6]H)(H)3	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:2:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(H)	C[6](C[5,6]C[5]2C[6])(O[6]C[6,6a])(NCH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,5|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	119.6480	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:2:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]O[6]H)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H)	C(NC[6]H)(CCCH)(H)2	N(C[6]C[6]O[6]H)(CCHH)(H)	C[6](C[6]N[6]CC)(O[6]C[6,6])(NCH)(H){1|H<1>,2|C<3>}	C(NC[6]H)(CCCH)(H)2	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	116.4160	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:3:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6,6a]C[6,6]H)(CC[6a]HH)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	114.3610	0.000	1	114.3610	0.000	1	114.3610	0.000	1	113.2695	2.383	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:3:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	112.1780	0.000	1	112.1780	0.000	1	112.1780	0.000	1	113.2695	2.383	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:3:3:1:	3:3:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	116.5730	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H)	C(NC[6]H)(H)3	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCH)(H){3|C<3>}	C(NC[6]H)(H)3	114.0890	0.441	2	114.0890	0.195	2	113.8624	0.689	8	113.8624	0.689	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(H)3	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(NC[6]H)(H)3	113.8960	1.415	3	113.8960	2.003	3	113.8624	0.689	8	113.8624	0.689	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(H)3	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(NC[6]H)(H)3	114.1980	0.000	1	114.1980	0.000	1	113.8624	0.689	8	113.8624	0.689	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(H)3	N(C[6]C[6]2H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(H)3	113.4175	0.100	2	113.4175	0.010	2	113.8624	0.689	8	113.8624	0.689	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	113.6860	0.000	1	113.6860	0.000	1	113.3230	0.264	2	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	112.9600	0.000	1	112.9600	0.000	1	113.3230	0.264	2	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	116.7630	0.000	1	116.7630	0.000	1	115.6050	2.682	2	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	114.4470	0.000	1	114.4470	0.000	1	115.6050	2.682	2	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6,6]HS)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	115.5830	0.000	1	115.5830	0.000	1	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(H)2	113.9890	1.779	2	113.9890	3.165	2	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	114.2044	0.896	13	114.2044	0.802	13	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	113.8420	0.000	1	113.8420	0.000	1	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,2|H<1>,2|N<3>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	113.1910	1.463	3	113.1910	2.140	3	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	114.8460	0.000	1	114.8460	0.000	1	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)2	114.4560	0.000	1	114.4560	0.000	1	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	114.2850	0.000	1	114.2850	0.000	1	114.1400	1.030	23	114.1880	1.199	27	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)2(NCH)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	115.4540	0.000	2	115.4540	0.000	2	115.3434	0.050	5	115.3434	0.050	5	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	115.5000	0.000	1	115.5000	0.000	1	115.3434	0.050	5	115.3434	0.050	5	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	115.1545	0.285	2	115.1545	0.081	2	115.3434	0.050	5	115.3434	0.050	5	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCCS)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCCS)(H)2	115.9005	0.946	4	115.9005	0.895	4	115.0914	1.183	9	115.0914	1.183	9	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(H)2	114.2035	1.252	2	114.2035	1.568	2	115.0914	1.183	9	115.0914	1.183	9	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(H)2	114.4960	0.000	1	114.4960	0.000	1	115.0914	1.183	9	115.0914	1.183	9	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(H)2	115.0380	0.000	1	115.0380	0.000	1	115.0914	1.183	9	115.0914	1.183	9	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H)	C(NC[6]H)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(NCH)(H){1|C<3>,2|C<4>}	C(NC[6]H)(CHHN)(H)2	114.2800	0.000	1	114.2800	0.000	1	115.0914	1.183	9	115.0914	1.183	9	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:3:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C-4:N-3:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	N(C[6]C[6]2H)(CC[6a]CH)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a]HN)(NC[6]H)(H)	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	114.8665	2.050	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:3:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-3:H-1:	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CHHN)(COO)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(NC[6]H)(CHHN)(COO)(H)	113.8540	0.000	1	113.8540	0.000	1	113.8540	0.000	1	114.8665	2.050	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:H-1:	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(CH3)(H)	115.5407	0.970	3	115.5407	0.941	3	116.1890	2.972	7	116.1890	2.972	7	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:H-1:	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCHH)2(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)2(H)	116.1173	2.237	3	116.1173	5.004	3	116.1890	2.972	7	116.1890	2.972	7	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	3:4:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:H-1:	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	N(C[6]C[6]2H)(CCCH)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(CH3)(H)	118.3490	0.000	1	118.3490	0.000	1	116.1890	2.972	7	116.1890	2.972	7	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,5,6]-4:N-3:H-1:H-1:	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[5,5,6]C[5,5]C[5,6]2)(NC[6]H)(H)2	N(CC[5,5,6]HH)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(NC[6]H)(H)2	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	114.9610	2.632	4	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	N(C[6]C[6]2H)(CCHH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(CC[6a]HH)(NC[6]H)(H)2	114.0740	0.000	1	114.0740	0.000	1	114.0740	0.000	1	114.9610	2.632	4	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[5]C[5]2Fe)(NC[6]H)(H)2	N(C[6]C[6]2H)(CC[5]HH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(NC[6]H)(H)2	114.2675	0.988	2	114.2675	0.976	2	114.2675	0.976	2	114.9610	2.632	4	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:1:	4:4:3:3:	3:3:4:1:	C[6]-4:C-4:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	N(C[6]C[6]2C)(CC[6a]CH)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	119.9670	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:2:	3:3:3:1:	4:3:1:1:	C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-3:N-3:H-1:	C-4:N-3:H-1:H-1:	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	C(CC[6,6]HH)(NC[6]O)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(CC[6,6]HH)(NC[6]O)(H)2	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:2:	4:2:3:1:	3:3:1:1:	C[6]-4:C-4:O-2:	C[5,6]-4:O[6]-2:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	C(C[6a]C[6a]2)(NC[6]O)(H)2	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(NC[6]O)(H)2	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	113.2290	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:2:	4:2:3:1:	3:4:1:1:	C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]O[6]H)(CCHH)(OC)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	C(NC[6]O)(CCHH)(H)2	N(C[6]C[6]O[6]H)(CCHH)(OC)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]O)(CCHH)(H)2	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	110.5030	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:2:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:N-2:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)(NC)	C[6](C[6]C[6]HH)2(NCN)(H)	C(NC[6]N)(H)3	N(C[6]C[6]2H)(CH3)(NC)	C[6](C[6]C[6]HH)2(NCN)(H){1|C<4>,1|O<1>,2|H<1>}	C(NC[6]N)(H)3	116.2825	0.592	2	116.2825	0.350	2	116.2825	0.350	2	116.2825	0.350	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:3:	3:4:3:1:	3:3:1:1:	C[6]-4:C-4:S-3:	C[5a,6]-3:C[6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	C(NC[6]S)(CCH)(H)2	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(NC[6]S)(CCH)(H)2	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	112.4740	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CPtN)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)(CPtN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCHH)(H)2	115.0610	0.000	1	115.0610	0.000	1	115.0610	0.000	1	115.0610	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	2:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	O[6]-2:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]O[6]H)(CH3)2	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]O[6]H)(CH3)2	C[6](O[6]C[6,6a])(C[6]C[6]FF)(NCC)(H){1|O<1>,2|C<3>}	C(NC[6]C)(H)3	115.6935	2.971	2	115.6935	8.824	2	115.6935	8.824	2	115.6935	8.824	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	2:4:3:3:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	O[6]-2:C[6]-4:C[6]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C)	C(NC[6]2)(H)3	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]2H)(C[6]N[6]H)(NC[6]C){2|C<3>,2|C<4>,4|H<1>}	C(NC[6]2)(H)3	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:2:3:1:	3:3:1:1:	C[6]-4:S-4:C-4:	C[6]-3:O[6]-2:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H)	C(NC[6]S)(CCH)(H)2	N(C[6]C[6]O[6]H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(NCS)(H){2|C<3>,2|H<1>}	C(NC[6]S)(CCH)(H)2	117.8150	0.000	1	117.8150	0.000	1	117.8150	0.000	1	117.8150	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:2:3:1:	3:4:4:1:	C[6]-4:C-4:C-4:	C[6,6a]-3:O[6]-2:N-3:H-1:	N-3:C-4:C-4:H-1:	N(C[6]C[6,6a]O[6]H)(CCCH)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	C(NC[6]C)(CH3)2(H)	N(C[6]C[6,6a]O[6]H)(CCCH)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	C(NC[6]C)(CH3)2(H)	117.9850	0.016	2	117.9850	0.000	2	117.9850	0.000	2	117.9850	0.000	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C(NC[6]C)(H)3	112.2045	0.858	2	112.2045	0.736	2	112.2045	0.736	2	112.2045	0.736	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6,6a]C[6]H)(CC[6a]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	112.0225	0.349	2	112.0225	0.122	2	112.0225	0.122	2	112.0225	0.122	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:3:3:3:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-3:C[6a]-3:C[6]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6]C[6a]C[6]2)(CH3)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC)	C(NC[6]C)(H)3	N(C[6]C[6a]C[6]2)(CH3)2	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]O)(NCC){2|H<1>,4|C<3>}	C(NC[6]C)(H)3	115.0195	1.795	2	115.0195	3.223	2	115.0195	3.223	2	115.0195	3.223	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[5a,6]-3:C[6,6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[5a,6]C[6,6]H)(CH3)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[5a,6]C[6,6]H)(CH3)2	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]H)(NCC)(H){1|N<2>,2|H<1>,4|C<3>}	C(NC[6]C)(H)3	113.1575	1.604	2	113.1575	2.574	2	113.1575	2.574	2	115.1780	16.804	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6,6a]-3:N[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6,6a]N[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6,6a]N[6]H)(CH3)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C(NC[6]C)(H)3	121.1890	2.543	2	121.1890	6.466	2	121.1890	6.466	2	115.1780	16.804	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-3:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C(NC[6]C)(H)3	112.6920	2.884	2	112.6920	8.315	2	112.6920	8.315	2	115.1780	16.804	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	N[5a,6]-3:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]N[5a,6]C[6]H)(CH3)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]N[5a,6]C[6]H)(CH3)2	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(NCC)(H){3|C<3>,3|C<4>}	C(NC[6]C)(H)3	113.6735	1.719	2	113.6735	2.955	2	113.6735	2.955	2	115.1780	16.804	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5a]-3:N-3:H-1:H-1:	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C(C[5a]N[5a]2)(NC[6]C)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5a]N[5a]2)(NC[6]C)(H)2	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	3:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6,6a]C[6]H)(CC[5a]HH)(CCHH)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C(NC[6]C)(CCHH)(H)2	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	113.7360	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6,6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6,6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6,6]C[6]H)(CH3)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(NCC)(H){4|C<4>,4|H<1>}	C(NC[6]C)(H)3	114.6295	0.938	2	114.6295	0.880	2	114.6295	0.880	2	113.9707	4.795	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCC)(H){1|C<3>,1|S<2>,2|H<1>}	C(NC[6]C)(H)3	116.0350	0.033	2	116.0350	0.001	2	113.7512	6.306	6	113.9707	4.795	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]N)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	110.7045	0.812	2	110.7045	0.660	2	113.7512	6.306	6	113.9707	4.795	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6a]C[6])(NCC)(H){1|O<2>,2|O<1>,5|C<3>}	C(NC[6]C)(H)3	114.5140	0.841	2	114.5140	0.708	2	113.7512	6.306	6	113.9707	4.795	8	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	116.2560	0.000	1	116.2560	0.000	1	116.2560	0.000	1	116.2560	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:1:	3:3:4:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	114.1550	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:C[6]-3:N-3:	N-3:H-1:H-1:H-1:	N(C[6]C[6]3)(CH3)2	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC)	C(NC[6]C)(H)3	N(C[6]C[6]3)(CH3)2	C[6](C[6]C[6]2N)(C[6]C[6]H)2(NCC){1|N<3>,2|C<3>,4|H<1>}	C(NC[6]C)(H)3	113.5140	2.118	4	113.5140	4.488	4	113.5140	4.488	4	113.5140	4.488	4	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC3)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC3)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(NC[6]C)(H)3	114.2070	0.000	1	114.2070	0.000	1	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(NC[6]C)(H)3	113.7160	0.000	1	113.7160	0.000	1	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	C(NC[6]C)(H)3	111.9970	0.000	1	111.9970	0.000	1	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(NC[6]C)(H)3	113.2380	0.000	1	113.2380	0.000	1	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	113.6455	0.559	2	113.6455	0.313	2	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C(NC[6]C)(H)3	114.1830	0.000	2	113.6903	0.797	6	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(NC[6]C)(H)3	113.4440	1.042	4	113.6903	0.797	6	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	113.4785	1.796	4	113.4785	3.225	4	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HO)(NCC)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(NC[6]C)(H)3	114.9625	0.688	2	114.9625	0.473	2	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCC)(H){2|C<4>,3|H<1>}	C(NC[6]C)(H)3	113.1655	2.890	2	113.1655	8.352	2	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]C)(H)3	112.5457	1.675	4	112.5457	2.804	4	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	113.2490	1.472	24	113.2490	2.168	24	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(NC[6]C)(H)3	113.4361	1.384	8	113.4361	1.915	8	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	C(NC[6]C)(H)3	112.0040	1.397	2	112.0040	1.952	2	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,1|C<3>,1|C<4>,4|H<1>}	C(NC[6]C)(H)3	112.4115	1.527	8	112.1770	2.357	14	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<4>,2|C<4>,5|H<1>}	C(NC[6]C)(H)3	111.8948	1.386	4	112.1770	2.357	14	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CH3)2	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCC)(H){1|In<5>,2|C<4>,5|H<1>}	C(NC[6]C)(H)3	111.8035	2.741	2	112.1770	2.357	14	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(CHHP)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(H)3	N(C[6]C[6]2H)(CHHP)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(H)3	114.5620	0.000	1	114.5620	0.000	1	113.1158	2.212	73	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)2(NC[6]C)(H)	C(NC[6]2)(H)3	N(C[6]C[6]2O[6])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6]HH)2(NC[6]C)(H){2|H<1>,3|C<4>}	C(NC[6]2)(H)3	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(H)3	N(C[6]C[6]2H)(PNNO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(H)3	117.3015	1.106	12	117.3015	1.224	12	117.3542	1.158	13	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:P-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(PNOO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(H)3	N(C[6]C[6]2H)(PNOO)(CH3)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(H)3	117.9870	0.000	1	117.9870	0.000	1	117.3542	1.158	13	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:P[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C[6](C[6]C[6]HH)2(NP[6]C)(H)	C(NC[6]P[6])(H)3	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C[6](C[6]C[6]HH)2(NP[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]P[6])(H)3	116.1220	0.000	1	116.1220	0.000	1	116.1220	0.000	1	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H)	C(NC[6]S)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NCS)(H){3|C<3>}	C(NC[6]S)(H)3	118.7430	0.000	1	118.7430	0.000	1	118.3147	0.166	3	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C(NC[6]S)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,2|H<1>,2|O<2>}	C(NC[6]S)(H)3	117.9310	0.000	1	117.9310	0.000	1	118.3147	0.166	3	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)2(NCS)(H)	C(NC[6]S)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CH3)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(H)3	118.2700	0.000	1	118.2700	0.000	1	118.3147	0.166	3	113.9185	4.877	91	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	115.5310	0.146	2	115.5310	0.021	2	114.4808	1.971	4	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	113.4305	1.217	2	113.4305	1.481	2	114.4808	1.971	4	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[5]N[5]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[5]N[5]2)(NC[6]C)(H)2	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[5a]N[5a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[5a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[5a]N[5a]2)(NC[6]C)(H)2	111.1830	0.000	1	111.1830	0.000	1	111.1830	0.000	1	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6]N[5,6]C[6])(NC[6]C)(H)2	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	114.3950	0.000	1	114.3950	0.000	1	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	115.0750	2.240	4	115.0750	5.018	4	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	111.0875	0.230	2	111.0875	0.053	2	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	110.6530	0.000	1	110.6530	0.000	1	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[6]C)(H)2	112.0380	0.000	1	112.0380	0.000	1	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	113.4345	0.001	2	113.4345	0.000	2	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	110.0580	0.000	1	110.0580	0.000	1	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	112.0100	0.000	1	112.0100	0.000	1	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	114.7220	0.593	2	114.7220	0.351	2	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	111.0800	0.000	1	111.0800	0.000	1	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	114.9990	0.000	1	114.9990	0.000	1	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	110.2960	0.000	2	111.1545	2.913	6	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	111.5838	2.029	4	111.1545	2.913	6	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	112.8398	1.461	4	112.8398	2.136	4	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCC)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	113.8822	0.866	5	113.8822	0.749	5	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCC)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	113.3705	1.408	2	113.3705	1.982	2	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	112.8330	3.050	2	112.8330	9.305	2	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	113.5740	1.451	5	113.5740	2.105	5	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	113.5554	1.849	11	113.5554	3.420	11	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|F<1>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	113.0313	0.844	12	113.0213	0.776	16	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	112.9913	1.125	4	113.0213	0.776	16	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	112.9623	1.562	18	112.9623	2.439	18	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	113.2435	1.501	2	113.2435	2.254	2	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	113.0330	2.366	4	113.5112	4.825	6	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]HO)2(NCC)(H){1|N<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	114.4675	2.142	2	113.5112	4.825	6	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)2	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(H)2	112.7410	1.607	2	112.7410	2.581	2	113.0813	2.768	96	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(CCH)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCH)(H)2	113.2215	0.469	2	113.2215	0.220	2	113.3935	4.305	8	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(COO)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(COO)(H)2	113.5675	3.093	4	113.5675	9.565	4	113.3935	4.305	8	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(COO)(H)2	N(C[6]C[6]2H)(CC[6]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(COO)(H)2	112.5190	0.000	1	112.5190	0.000	1	113.3935	4.305	8	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(COO)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(COO)(H)2	113.9160	0.000	1	113.9160	0.000	1	113.3935	4.305	8	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:S-3:H-1:H-1:	N(C[6]C[6]2H)(CHHS)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(SFe2)(H)2	N(C[6]C[6]2H)(CHHS)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(SFe2)(H)2	113.2130	1.119	4	113.2130	1.251	4	113.2130	1.251	4	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H)	C(C[6a]C[6a]2)(NC[6]S)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]S)(H)2	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:H-1:	N(C[6]C[6]2H)2(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(C[6a]C[6a]2)(NC[6]2)(H)2	N(C[6]C[6]2H)2(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]2)(H)2	114.6500	1.784	4	114.6500	3.183	4	114.6500	3.183	4	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:H-1:H-1:	N(C[6]C[6]2H)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H)	C(NC[6]2)(COO)(H)2	N(C[6]C[6]2H)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(COO)(H)2	116.3450	1.175	2	116.3450	1.381	2	116.3450	1.381	2	113.3038	3.244	122	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:2:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-2:H-1:	N(C[6]C[6]2H)2(CCHO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CNO)(OH)(H)	N(C[6]C[6]2H)2(CCHO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CNO)(OH)(H)	115.6185	0.019	2	115.6185	0.000	2	115.6185	0.000	2	115.6185	0.000	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:C-4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	115.1985	0.818	2	115.1985	0.669	2	115.1985	0.669	2	117.2538	6.424	11	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HI)(NCC)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	115.8960	0.000	1	115.8960	0.000	1	117.2476	5.402	8	117.2538	6.424	11	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	118.9232	1.464	4	118.9232	2.142	4	117.2476	5.402	8	117.2538	6.424	11	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6]HO)2(NCC)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	114.4625	1.664	2	114.4625	2.768	2	117.2476	5.402	8	117.2538	6.424	11	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]HH)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(CH3)(H)	117.4670	0.000	1	117.4670	0.000	1	117.2476	5.402	8	117.2538	6.424	11	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[6]-4:C-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H)	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	N(C[6]C[6]2H)(CC[6a]CH)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCS)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]S)(CCHH)(H)	121.4140	0.000	1	121.4140	0.000	1	121.4140	0.000	1	117.2538	6.424	11	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:3:4:2:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-4:C-2:	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	N(C[6]C[6]2H)(CC[6a]CC)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(CCCH)(CN)	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	115.4330	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCHH)(H)2	112.7035	2.662	2	112.7035	7.088	2	112.8795	2.257	10	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(NC[6]C)(CHHN)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CHHN)(H)2	113.2795	2.056	2	113.2795	4.225	2	112.8795	2.257	10	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CHHP)(H)2	N(C[6]C[6]2H)(CCHH)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CHHP)(H)2	112.1325	0.812	2	112.1325	0.660	2	112.8795	2.257	10	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(CCHH)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCHH)(H)2	112.6997	1.455	3	112.6997	2.118	3	112.8795	2.257	10	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CHHN)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CCHH)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CHHN)(H)2	114.4650	0.000	1	114.4650	0.000	1	112.8795	2.257	10	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:P-4:H-1:H-1:	N(C[6]C[6]2H)(CHHP)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(PCOO)(H)2	N(C[6]C[6]2H)(CHHP)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(PCOO)(H)2	110.7260	0.000	1	110.7260	0.000	1	110.7260	0.000	1	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C(NC[6]S)(CHHN)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(CHHN)(H)2	117.2285	3.676	2	117.2285	13.515	2	117.5907	6.199	6	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H)	C(NC[6]S)(CHHO)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(CHHO)(H)2	115.7735	0.479	2	115.7735	0.229	2	117.5907	6.199	6	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H)	C(NC[6]S)(CCHO)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCS)(H){1|C<4>,2|H<1>}	C(NC[6]S)(CCHO)(H)2	120.4360	0.000	1	120.4360	0.000	1	117.5907	6.199	6	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:S-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H)	C(NC[6]S)(CH3)(H)2	N(C[6]C[6]2H)(SC[6a]OO)(CCHH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(CH3)(H)2	119.1040	0.000	1	119.1040	0.000	1	117.5907	6.199	6	114.4156	9.313	17	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:4:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:H-1:	N(C[6]C[6]2H)(CCCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H)	C(NC[6]C)(CH3)2(H)	N(C[6]C[6]2H)(CCCH)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]C)(CH3)2(H)	117.1540	0.822	2	117.1540	0.675	2	117.1540	0.675	2	117.9105	0.860	6	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:H-1:	N(C[6]C[6]2H)2(CCCH)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CHHO)2(H)	N(C[6]C[6]2H)2(CCCH)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CHHO)2(H)	118.2887	0.798	4	118.2887	0.636	4	118.2887	0.636	4	117.9105	0.860	6	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:4:2:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:C-2:	N(C[6]C[6]2H)(CC3)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(NC[6]C)(CCCH)(CHHN)(CN)	N(C[6]C[6]2H)(CC3)(CH3)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(NC[6]C)(CCCH)(CHHN)(CN)	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	115.3760	0.000	1	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	3:4:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:C-4:	N(C[6]C[6]2H)2(CC3)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CHHO)2(CH3)	N(C[6]C[6]2H)2(CC3)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CHHO)2(CH3)	118.7670	4.861	2	118.7670	23.626	2	118.7670	23.626	2	118.7670	23.626	2	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:H-1:H-1:	N(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H)	C(CC[6,6]HH)(NC[6]C)(H)2	N(C[6]C[6]2H)(CCHH)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]OO)(NCC)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(CC[6,6]HH)(NC[6]C)(H)2	115.0200	0.000	1	115.0200	0.000	1	115.0200	0.000	1	113.2168	3.224	4	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[5]C[5]2Fe)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[5]HH)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|N<3>,4|C<4>}	C(C[5]C[5]2Fe)(NC[6]C)(H)2	110.7770	0.000	1	110.7770	0.000	1	112.6157	2.669	3	113.2168	3.224	4	114.3589	5.638	401	114.3730	5.730	426
956	466	490	0:SP3_SP3_SP3	N	C[6]	C	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:H-1:H-1:	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(C[5]C[5]2Fe)(NC[6]C)(H)2	N(C[6]C[6]2H)(CC[6a]HH)(CC[5]HH)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(NC[6]C)(H)2	113.5350	0.516	2	113.5350	0.266	2	112.6157	2.669	3	113.2168	3.224	4	114.3589	5.638	401	114.3730	5.730	426
956	466	542	0:SP2_SP2_SP3	N	C[6]	N[5]	4:3:3:	3:4:3:1:	4:3:3:	C[6]-4:N[5]-3:C-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5]-4:C[5]-3:N-3:	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]C)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	N[5](C[5]C[5]CH)(C[5]O[5]O)(NC[6]C){2|H<1>}	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1	118.5640	0.000	1
956	466	598	0:SP2_SP2_SP3	N	C[6]	Si[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:Si[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(Si[4]N[4]2)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H)	Si[4](N[4]C[4]C)2(NC[6]2)	N(C[6]C[6]2H)2(Si[4]N[4]2)	C[6](C[6]C[6]HH)2(NSi[4]C[6])(H){1|C<4>,4|H<1>}	Si[4](N[4]C[4]C)2(NC[6]2){1|C<3>}	121.8025	2.259	2	121.8025	5.104	2	121.8025	5.104	2	121.8025	5.104	2	121.8025	5.104	2	121.8025	5.104	2
956	466	643	0:SP2_SP2_SP3	N	C[3x6]	C[6a]	3:4:1:	4:4:4:3:	3:2:3:	C[6a]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H)	N(C[6a]C[6a]N[6a])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[3x6]H){1|C<3>,2|H<1>}	128.6990	0.000	1	128.6990	0.000	1	128.6990	0.000	1	128.6990	0.000	1	124.1240	19.196	6	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[3x6]	C[6a]	3:4:1:	4:4:4:3:	3:3:3:	C[6a]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H)	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H){3|C<4>,3|H<1>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	128.6980	0.000	1	128.6980	0.000	1	128.6980	0.000	1	128.6980	0.000	1	124.1240	19.196	6	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[3x6]	C[6a]	3:4:4:	4:4:4:3:	3:3:3:	C[6a]-3:C[3x6]-4:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C)	N(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]3)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C){3|C<4>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[3x6]C){2|H<1>,3|C<3>}	121.8950	0.000	1	121.8950	0.000	1	121.8950	0.000	1	121.8950	0.000	1	124.1240	19.196	6	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[3x6]	C[6a]	4:3:1:	4:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H)	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]H){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[3x6]H){1|C<3>,2|H<1>}	122.1380	5.708	2	122.1380	32.579	2	122.1380	32.579	2	122.1380	32.579	2	124.1240	19.196	6	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[3x6]	C[6a]	4:3:4:	4:4:4:3:	3:3:3:	C[3x6]-4:C[6a]-3:C-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C)	N(C[3x6]C[6,6]3)(C[6a]C[6a]2)(CCHH)	C[3x6](C[6,6]C[3x6]HH)3(NC[6a]C){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]P)(NC[3x6]C){1|C<3>,2|H<1>}	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	124.1240	19.196	6	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6,6]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:C-2:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C){2|H<1>,3|C<3>}	117.2030	0.033	2	117.2030	0.001	2	117.2030	0.001	2	117.2030	0.001	2	117.2030	0.001	2	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:N[6a]-2:	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6a]2)(H)	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a])	N(C[6a]C[6a]N[6a])2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(NC[6a]2)(H){1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]H)(NC[6a]C[6])(N[6a]C[6a]){1|C<3>,1|C<4>,1|H<1>}	120.8105	1.592	2	120.8105	2.534	2	120.8105	2.534	2	120.8105	2.534	2	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:2:3:1:	3:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[5,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H)	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	123.0420	0.000	1	123.0420	0.000	1	123.0420	0.000	1	123.0713	1.312	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:2:3:1:	3:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|O<2>,2|C<3>}	121.9410	0.000	1	123.0860	2.622	2	123.0860	2.622	2	123.0713	1.312	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:2:3:1:	3:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|S<2>,2|C<3>}	124.2310	0.000	1	123.0860	2.622	2	123.0860	2.622	2	123.0713	1.312	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6]H){1|N<2>,2|C<3>}	123.1860	1.396	2	123.2048	0.785	4	123.2048	0.785	4	123.2048	0.785	4	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	122.7740	0.000	1	123.2048	0.785	4	123.2048	0.785	4	123.2048	0.785	4	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](N[6a]C[6a])2(NC[6]H)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<4>,4|C<4>}	C[6a](N[6a]C[6a])2(NC[6]H){1|Cl<1>,1|N<2>,1|O<2>}	123.6730	0.000	1	123.2048	0.785	4	123.2048	0.785	4	123.2048	0.785	4	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	2:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|S<2>,3|C<3>}	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Br)(N[6a]C[6a])(NC[6]H){1|C<4>,1|N<2>,1|N<3>}	124.3250	0.000	1	124.3250	0.000	1	124.6860	2.627	3	124.6860	2.627	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|Cl<1>,1|N<2>,1|N<3>}	123.2760	0.000	1	124.8665	5.059	2	124.6860	2.627	3	124.6860	2.627	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]H){1|N<2>,2|C<3>}	126.4570	0.000	1	124.8665	5.059	2	124.6860	2.627	3	124.6860	2.627	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H)	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NC[6a]H)(H){2|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	127.6020	1.962	2	127.6020	3.848	2	127.6020	3.848	2	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H){1|N<2>,2|H<1>,4|C<3>}	121.7170	0.000	1	121.7170	0.000	1	121.7170	0.000	1	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]C)(NC[6]H){1|H<1>,3|C<3>}	132.1970	0.205	2	132.1970	0.042	2	132.1970	0.042	2	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6a]H)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	125.4300	0.000	1	125.4300	0.000	1	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(NC[6a]H)(H){2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	124.3850	0.000	1	124.3850	0.000	1	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	123.3625	0.429	4	123.3625	0.184	4	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	125.2110	0.141	2	125.2110	0.020	2	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	124.4025	0.108	2	124.4025	0.012	2	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	124.7720	0.000	1	124.7720	0.000	1	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	126.8430	0.000	1	126.8430	0.000	1	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(NC[6]H){1|C<3>,2|H<1>}	123.8760	0.000	1	123.8760	0.000	1	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(NC[6]H){1|C<3>,2|H<1>}	126.0480	0.711	2	126.0480	0.506	2	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.4750	0.000	1	123.2723	2.764	6	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	123.1345	1.940	4	123.2723	2.764	6	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	124.6210	0.000	1	123.2723	2.764	6	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|O<2>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(NC[6]H){1|N<3>,2|C<3>,2|H<1>}	124.6835	0.467	2	124.6835	0.218	2	124.3078	1.874	23	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6a]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(NC[6]H){1|N<3>,2|O<1>}	123.3280	0.000	1	123.3280	0.000	1	123.3280	0.000	1	124.9560	6.671	29	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:2:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:C-2:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(CN)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2C)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(CN){1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	126.5510	0.000	1	126.5510	0.000	1	126.5510	0.000	1	126.5510	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:2:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	C[6a](C[6a]C[6a]H)2(NC[6]O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(NC[6]O){1|C<3>,2|H<1>}	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	118.6560	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	120.4400	0.396	4	120.4400	0.157	4	119.9602	1.269	5	119.9602	1.269	5	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:3:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]I)(NC[6]C){1|C<3>,2|H<1>}	118.0410	0.000	1	118.0410	0.000	1	119.9602	1.269	5	119.9602	1.269	5	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	121.5460	0.640	3	121.5460	0.410	3	119.7259	1.860	14	119.7259	1.860	14	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]C){1|C<3>,2|H<1>}	119.6283	0.359	3	119.6283	0.129	3	119.7259	1.860	14	119.7259	1.860	14	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	119.0305	0.209	2	119.2991	1.185	7	119.7259	1.860	14	119.7259	1.860	14	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	119.4066	1.310	5	119.2991	1.185	7	119.7259	1.860	14	119.7259	1.860	14	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:3:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	117.5460	0.000	1	117.5460	0.000	1	119.7259	1.860	14	119.7259	1.860	14	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	121.4855	1.053	2	121.4855	1.109	2	120.9893	1.293	3	120.9893	1.293	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	119.9970	0.000	1	119.9970	0.000	1	120.9893	1.293	3	120.9893	1.293	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CC[6a]HH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6]C){1|C<3>,2|O<2>}	121.4280	0.000	1	121.4280	0.000	1	120.6724	0.750	8	120.6845	0.714	10	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6]C){1|C<4>,1|N<2>,1|N<3>}	120.0490	0.588	2	120.5644	0.766	7	120.6724	0.750	8	120.6845	0.714	10	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6]C){1|Cl<1>,1|C<3>,1|H<1>}	121.8060	0.000	1	120.5644	0.766	7	120.6724	0.750	8	120.6845	0.714	10	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,1|N<3>,1|O<2>}	119.8160	0.011	2	120.5644	0.766	7	120.6724	0.750	8	120.6845	0.714	10	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](N[6a]C[6a])2(NC[6]C)	N(C[6a]N[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6]C){1|N<2>,2|N<3>}	121.2075	0.477	2	120.5644	0.766	7	120.6724	0.750	8	120.6845	0.714	10	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	2:2:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-2:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	C[6a](N[6a]C[6a])2(NC[6]2)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[6a])2(NC[6]2){1|Cl<1>,1|N<2>,1|N<3>}	120.7330	1.085	2	120.7330	1.177	2	120.7330	1.177	2	120.6845	0.714	10	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	2:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2)	N(C[6a]N[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(NC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]2){1|O<1>,1|S<2>,3|C<3>}	119.7365	1.067	2	119.7365	1.139	2	119.7365	1.139	2	119.7365	1.139	2	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	121.3450	0.000	1	121.3450	0.000	1	121.3450	0.000	1	120.1593	1.099	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(NC[6]C){1|Cl<1>,1|N<2>,1|N<3>}	119.3560	0.000	1	119.3560	0.000	1	119.5665	0.089	2	120.1593	1.099	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N[6a]-2:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(NC[6]C){1|C<3>,2|H<1>}	119.7770	0.000	1	119.7770	0.000	1	119.5665	0.089	2	120.1593	1.099	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCHH)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	115.9190	0.000	1	115.9190	0.000	1	115.9190	0.000	1	118.9513	7.043	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	120.8510	0.000	1	120.8510	0.000	1	120.4675	0.294	2	118.9513	7.043	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	N(C[6a]C[6a]2)(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]S)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	120.0840	0.000	1	120.0840	0.000	1	120.4675	0.294	2	118.9513	7.043	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	2:3:3:3:	3:3:3:	C[6]-4:C[6a]-3:H-1:	O[6]-2:C[6]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(NC[6a]H)(COO){3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	124.6270	0.000	1	124.6270	0.000	1	124.6270	0.000	1	124.6270	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-3:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]O)(O[6]N[6])(NC[6a]H)(H){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	121.7730	20.028	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|Cl<1>,1|C<3>,1|H<1>}	124.3545	0.267	2	124.3545	0.071	2	124.3545	0.071	2	121.7730	20.028	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(NC[6a]H)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	122.8591	1.161	8	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.5480	0.000	1	122.5480	0.000	1	122.5480	0.000	1	122.8591	1.161	8	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	123.2870	0.000	1	123.2870	0.000	1	123.2870	0.000	1	122.8591	1.161	8	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(NC[6]H){1|Br<1>,1|C<3>,1|H<1>}	123.0890	0.000	1	123.0890	0.000	1	122.9156	1.918	5	122.8591	1.161	8	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	123.7095	2.176	2	123.7095	4.734	2	122.9156	1.918	5	122.8591	1.161	8	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.2540	0.000	1	122.0350	0.096	2	122.9156	1.918	5	122.8591	1.161	8	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	121.8160	0.000	1	122.0350	0.096	2	122.9156	1.918	5	122.8591	1.161	8	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:3:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	125.9320	0.610	2	125.9320	0.372	2	125.9320	0.372	2	125.9320	0.372	2	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|C<4>,1|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	124.9100	0.000	1	122.6660	4.125	3	122.5197	2.175	7	122.5197	2.175	7	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	121.5440	0.834	2	122.6660	4.125	3	122.5197	2.175	7	122.5197	2.175	7	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	123.5270	0.000	1	123.5270	0.000	1	122.5197	2.175	7	122.5197	2.175	7	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	120.6300	0.000	1	120.6300	0.000	1	122.5197	2.175	7	122.5197	2.175	7	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,1|F<1>,1|H<1>}	122.9040	0.000	1	122.7415	0.053	2	122.5197	2.175	7	122.5197	2.175	7	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.5790	0.000	1	122.7415	0.053	2	122.5197	2.175	7	122.5197	2.175	7	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:3:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]C)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]CH)(O[6]C[6,6])(NC[6a]H)(COO){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[5,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1	125.0215	1.579	2	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(NC[6a]H)(H){1|F<1>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	125.9100	0.000	1	125.9100	0.000	1	125.9100	0.000	1	125.0215	1.579	2	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:3:	2:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C-3:	O[6]-2:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	120.1370	0.000	1	120.1370	0.000	1	120.1370	0.000	1	120.1370	0.000	1	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:3:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:C-3:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	118.5910	0.000	1	120.0833	1.690	3	120.0833	1.690	3	120.0833	1.690	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:3:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:C-3:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(NC[6]C){1|C<3>,2|C<4>}	120.8295	0.197	2	120.0833	1.690	3	120.0833	1.690	3	120.0833	1.690	3	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:3:	4:4:3:4:	3:3:3:	C[6]-4:C[6a]-3:C[6a]-3:	Si[6]-4:C[6]-4:N-3:Si-4:	C[6a]-3:C[6a]-3:N-3:	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3)	C[6a](C[6a]C[6a]H)2(NC[6a]C[6])	N(C[6]Si[6]C[6]Si)(C[6a]C[6a]2)2	C[6](Si[6]C[6]SiO)(C[6]C[6]HH)(NC[6a]2)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6a]C[6]){1|C<3>,2|H<1>}	121.2735	1.395	4	121.2735	1.947	4	121.2735	1.947	4	121.2735	1.947	4	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:S-4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(NC[6]S){1|Cl<1>,1|C<3>,2|H<1>,2|N<2>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	120.1275	9.474	2	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP2_SP2_SP3	N	C[6]	C[6a]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:S-4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]S){1|C<3>,2|H<1>}	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	120.1275	9.474	2	122.3219	7.506	121	122.3263	8.349	129
956	466	643	0:SP3_SP2_SP3	N	C[3x6]	C[6a]	3:4:3:	4:4:4:3:	3:3:3:	C[5a]-3:C[3x6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C[6a]-3:C[6a]-3:	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a])	C[6a](NC[3x6]C[5a])(C[6a]C[6a]H)2	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a]){3|C<4>,3|H<1>}	C[6a](NC[3x6]C[5a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	118.2550	0.000	1	118.2550	0.000	1	118.2550	0.000	1	118.2550	0.000	1	118.2550	0.000	1	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6,6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6,6]-4:C-4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C)	N(C[6a]C[6a,6a]C[6a])(C[6,6]C[3x6]2H)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]P)(NC[6,6]C){2|H<1>,3|C<3>}	122.5420	0.000	1	122.5420	0.000	1	122.5420	0.000	1	122.5420	0.000	1	120.0280	6.318	5	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6,6]	C[6a]	4:3:1:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6,6]H)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[3x6]C[6,6]2H)(NC[6a]H)(H){1|O<1>,4|C<4>,7|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6,6]H){1|C<3>,2|H<1>}	121.3420	0.178	2	121.3420	0.032	2	121.3420	0.032	2	121.3420	0.032	2	120.0280	6.318	5	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6,6]	C[6a]	4:3:2:	4:4:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:C-2:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C)	N(C[6,6]C[3x6]2H)(C[6a]C[6a]2)(CN)	C[6,6](C[3x6]C[6,6]2H)2(NC[6a]C)(H){2|C<4>,8|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(NC[6,6]C){2|H<1>,3|C<3>}	117.4570	1.499	2	117.4570	2.247	2	117.4570	2.247	2	117.4570	2.247	2	120.0280	6.318	5	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	2:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6a]-2:N[6a]-3:N-3:	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H)	N(C[6a]N[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(NC[6]H){1|O<1>,1|O<2>,3|C<3>}	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	122.7510	0.000	1	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:N-3:	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H)	N(C[6a]C[6a,6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|N<3>,4|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(NC[6]H){1|N<2>,2|H<1>,4|C<3>}	126.5060	0.000	1	126.5060	0.000	1	126.5060	0.000	1	121.4221	10.821	8	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H)	N(C[6a]C[6a,6a]C[6a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(NC[6]H){2|H<1>,3|C<3>}	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	121.4221	10.821	8	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6,6a]C[6a]2)(C[6]N[6]HH)(NC[6a]H)(H){1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	120.9140	0.000	1	120.9140	0.000	1	120.3600	8.294	6	121.4221	10.821	8	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	120.2090	0.000	1	120.2090	0.000	1	120.3600	8.294	6	121.4221	10.821	8	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6a]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	121.9310	1.945	3	121.9310	3.782	3	120.3600	8.294	6	121.4221	10.821	8	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:1:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NC[6a]H)(H){1|In<4>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	115.2440	0.000	1	115.2440	0.000	1	120.3600	8.294	6	121.4221	10.821	8	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6,6a]HO)(C[6]C[6]H)(NC[6a]C)(H){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	118.4650	1.032	2	118.4650	1.066	2	119.2263	2.272	3	119.2263	2.272	3	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H)	C[6a](C[6a]C[6a]H)2(NC[6]C)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NC[6a]C)(H){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]C){1|C<3>,2|H<1>}	120.7490	0.000	1	120.7490	0.000	1	119.2263	2.272	3	119.2263	2.272	3	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:2:3:	C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,6a]-3:N[6a]-2:N-3:	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(NC[6a]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)2(NC[6]H)	N(C[6]C[6,6a]2H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)2(NC[6]H){1|C<3>,2|H<1>}	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	118.6060	14.024	2	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	118.6060	14.024	2	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	124.3670	0.000	1	124.3670	0.000	1	124.3670	0.000	1	122.8372	2.143	5	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	122.8372	2.143	5	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	123.4040	0.000	1	123.4040	0.000	1	122.8020	2.100	3	122.8372	2.143	5	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|C<4>}	123.8530	0.000	1	123.8530	0.000	1	122.8020	2.100	3	122.8372	2.143	5	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|O<2>}	121.1490	0.000	1	121.1490	0.000	1	122.8020	2.100	3	122.8372	2.143	5	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:3:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H)	N(C[6]C[6,6a]C[6]2)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(C[6]C[6]2)(NC[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(NC[6]H){1|C<3>,2|H<1>}	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	120.3810	7.001	2	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	3:4:3:3:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	120.3810	7.001	2	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	121.9390	0.000	1	121.9390	0.000	1	122.1867	0.111	3	122.1867	0.111	3	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(NC[6]H){1|C<3>,2|H<1>}	122.0560	0.000	1	122.0560	0.000	1	122.1867	0.111	3	122.1867	0.111	3	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:1:	4:2:3:1:	3:3:3:	C[6]-4:C[6a]-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H)	C[6a](C[6a]C[6a]H)2(NC[6]H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(NC[6a]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(NC[6]H){1|C<3>,2|H<1>}	122.5650	0.000	1	122.5650	0.000	1	122.1867	0.111	3	122.1867	0.111	3	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:2:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:O-2:	C[5a,6]-3:C[6]-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	C[6a](C[6a]C[6a]Br)2(NC[6]O)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Br)2(NC[6]O){1|C<3>,2|H<1>}	119.2940	0.000	1	119.2940	0.000	1	119.2940	0.000	1	119.2940	0.000	1	121.1002	6.556	27	120.8515	6.485	33
956	466	643	0:SP3_SP2_SP3	N	C[6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6]-4:C[6a]-3:N-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(NC[6]N)	N(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(NC[6]N){1|C<3>,2|H<1>}	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	121.9680	0.000	1	121.1002	6.556	27	120.8515	6.485	33
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	2:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H)	N(C[5a]N[5a]O[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[5a])(O[5a]N[5a])(NC[6]H){1|C<3>}	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	124.1615	1.962	2	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	2:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6]H)	N(C[5a]N[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]N[5a])(S[5a]C[5a])(NC[6]H){1|C<3>}	125.1520	0.000	1	125.1520	0.000	1	125.1520	0.000	1	124.1615	1.962	2	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(NC[6]H)	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a]2)(S[5a]C[5a])(NC[6]H){1|C<2>,1|N<2>,1|N<3>,1|O<2>}	125.8090	0.000	1	125.8090	0.000	1	124.9375	1.519	2	122.1060	7.719	5	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6]H)	N(C[5a]C[5a]S[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](C[5a]N[5a]C)(S[5a]C[5a])(NC[6]H){1|C<3>}	124.0660	0.000	1	124.0660	0.000	1	124.9375	1.519	2	122.1060	7.719	5	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H){3|C<3>}	119.6430	0.000	1	119.6430	0.000	1	120.2183	1.315	3	122.1060	7.719	5	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(NC[6]H)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]N[5a]C[6])(N[5a]N[5a])(NC[6]H){1|H<1>,2|C<4>}	119.4730	0.000	1	119.4730	0.000	1	120.2183	1.315	3	122.1060	7.719	5	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NC[6]H){1|C<3>}	121.5390	0.000	1	121.5390	0.000	1	120.2183	1.315	3	122.1060	7.719	5	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:3:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NC[6]H){1|C<3>,1|C<4>,1|N<2>}	125.5160	0.000	1	125.5160	0.000	1	125.5160	0.000	1	125.5160	0.000	1	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP2_SP2_SP3	N	C[6]	C[5a]	3:4:4:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S)	N(C[5a]C[5a]O[5a])(C[6]C[6]2H)(SCOO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NC[6]S){2|C<3>,2|C<4>}	119.5190	0.834	2	119.5190	0.696	2	119.5190	0.696	2	119.5190	0.696	2	122.3407	7.383	10	122.3407	7.383	10
956	466	727	0:SP3_SP2_SP3	N	C[3x6]	C[5a]	3:4:3:	4:4:4:3:	3:3:2:	C[5a]-3:C[3x6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[5a]-3:N-3:S[5a]-2:	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a])	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a])	N(C[5a]C[5a]S[5a])(C[3x6]C[6,6]3)(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(NC[5a]C[6a]){3|C<4>,3|H<1>}	C[5a](C[5a]C[6a]N[5a])(NC[3x6]C[6a])(S[5a]C[5a]){3|C<3>}	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.0040	6.723	7
956	466	727	0:SP3_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H)	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6]H)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NC[6]H){2|C<3>}	120.7890	0.987	2	120.7890	0.974	2	118.8613	11.635	3	118.8613	11.635	3	117.8775	7.934	6	118.0040	6.723	7
956	466	727	0:SP3_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H)	N(C[5a]N[5a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a]C[6a]N[5a])(N[5a]C[5a])(NC[6]H){3|C<3>}	115.0060	0.000	1	115.0060	0.000	1	118.8613	11.635	3	118.8613	11.635	3	117.8775	7.934	6	118.0040	6.723	7
956	466	727	0:SP3_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:3:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a,5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NC[6]H)	N(C[5a]C[5a,5a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NC[6]H){2|C<3>,2|C<4>}	115.0790	0.000	1	115.0790	0.000	1	115.0790	0.000	1	115.5995	0.542	2	117.8775	7.934	6	118.0040	6.723	7
956	466	727	0:SP3_SP2_SP3	N	C[6]	C[5a]	3:4:1:	4:4:3:1:	3:3:3:	C[5a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H)	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H)	N(C[5a]N[5a,6a]C[5a])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5a]H)(H){1|C<4>,4|H<1>}	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6]H){1|H<1>,4|C<3>}	116.1200	0.000	1	116.1200	0.000	1	116.1200	0.000	1	115.5995	0.542	2	117.8775	7.934	6	118.0040	6.723	7
956	466	727	0:SP3_SP2_SP3	N	C[6]	C[5a]	3:4:4:	4:4:3:1:	3:3:3:	C[5a]-3:C[6]-4:S-4:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6]S)	N(C[5a]C[5a]N[5a])(C[6]C[6]2H)(SC[6a]OO)	C[6](C[6]C[6]HH)2(NC[5a]S)(H){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NC[6]S){2|H<1>}	119.4820	0.000	1	119.4820	0.000	1	119.4820	0.000	1	119.4820	0.000	1	117.8775	7.934	6	118.0040	6.723	7
956	466	762	0:SP2_SP2_SP3	N	C[3x6]	C[6]	3:4:1:	4:4:4:3:	3:3:3:	C[6]-3:C[3x6]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H)	N(C[6]C[6,6a]C[6])(C[3x6]C[6,6]3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NC[6]H){3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H){1|H<1>,1|O<1>,3|C<3>}	131.1090	0.000	1	131.1090	0.000	1	131.1090	0.000	1	131.1090	0.000	1	131.1090	0.000	1	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	3:4:1:	4:4:3:1:	2:2:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-2:S[6]-2:N-3:	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H)	N(C[6]N[6]S[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](N[6]C[5,6])(S[6]C[6])(NC[6]H){2|H<1>,2|N<3>}	124.3380	0.000	1	124.3380	0.000	1	124.3380	0.000	1	124.3380	0.000	1	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	3:4:1:	4:4:3:1:	2:3:3:	C[6]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H)	N(C[6]C[6]O[6])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6]H){1|H<1>,1|N<3>,2|C<3>}	126.5450	0.000	1	126.5450	0.000	1	126.5450	0.000	1	126.5450	0.000	1	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	3:4:4:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-2:N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NC[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	121.2130	0.000	1	121.2130	0.000	1	121.2130	0.000	1	121.9745	1.160	2	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	3:2:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]C[6]2H)(C[6]N[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](N[6]C[6]Cu)(N[6]C[6])(NC[6]H)	N(C[6]C[6]2H)(C[6]N[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	C[6](N[6]C[6]Cu)(N[6]C[6])(NC[6]H){1|N<2>,1|N<3>,1|O<2>}	122.7360	0.000	1	122.7360	0.000	1	122.7360	0.000	1	121.9745	1.160	2	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H){1|O<1>,2|C<3>}	131.2560	0.000	1	131.2560	0.000	1	127.9712	3.669	5	127.9712	3.669	5	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H){1|O<1>,2|C<3>}	126.7300	0.000	1	126.7300	0.000	1	127.9712	3.669	5	127.9712	3.669	5	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|N<3>,4|C<4>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	126.9070	0.000	1	126.9070	0.000	1	127.9712	3.669	5	127.9712	3.669	5	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	127.4815	0.856	2	127.4815	0.733	2	127.9712	3.669	5	127.9712	3.669	5	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H){1|C<4>,1|O<1>,2|H<1>}	125.0825	0.783	2	125.0825	0.613	2	125.0825	0.613	2	125.0825	0.613	2	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:3:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NC[6]H)2{2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.5905	2.822	2	123.5905	7.964	2	124.7903	8.301	3	124.7903	8.301	3	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP2_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:3:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	127.1900	0.000	1	127.1900	0.000	1	124.7903	8.301	3	124.7903	8.301	3	125.2105	9.614	15	125.5792	11.148	16
956	466	762	0:SP3_SP2_SP3	N	C[6]	C[6]	3:4:4:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	119.9500	0.000	1	119.9500	0.000	1	120.0810	0.034	2	120.0810	0.034	2	120.4627	0.223	4	120.4627	0.223	4
956	466	762	0:SP3_SP2_SP3	N	C[6]	C[6]	3:4:4:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	120.2120	0.000	1	120.2120	0.000	1	120.0810	0.034	2	120.0810	0.034	2	120.4627	0.223	4	120.4627	0.223	4
956	466	762	0:SP3_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H)	N(C[6]C[6]2H)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	120.6820	0.000	1	120.4627	0.223	4	120.4627	0.223	4
956	466	762	0:SP3_SP2_SP3	N	C[6]	C[6]	4:3:1:	4:4:3:3:	3:3:3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-4:N-3:N-3:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	N(C[6]C[6]2N)(C[6]C[6]2)(H)	C[6](C[6]C[6]HH)2(NC[6]H)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	121.0070	0.000	1	120.4627	0.223	4	120.4627	0.223	4
956	466	769	0:SP2_SP2_SP3	N	C[6]	C[4a]	3:4:1:	4:4:3:1:	3:3:3:	C[4a]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[4a]H)(H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6]H)	N(C[4a]C[4a]2)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[4a]H)(H){1|C<4>,4|H<1>}	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6]H){1|O<1>}	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	123.0240	0.000	1	121.8115	2.940	2	121.8115	2.940	2
956	466	769	0:SP2_SP2_SP3	N	C[6]	C[4a]	3:4:2:	4:4:3:1:	3:3:3:	C[4a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(NC[4a]O)(H)	C[4a](C[4a]C[4a]N[6])(C[4a]C[4a]O)(NC[6]O)	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(NC[4a]O)(H){1|C<4>,4|H<1>}	C[4a](C[4a]C[4a]N[6])(C[4a]C[4a]O)(NC[6]O){1|O<1>,2|C<4>}	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	120.5990	0.000	1	121.8115	2.940	2	121.8115	2.940	2
956	466	770	0:SP2_SP2_SP3	N	C[3x6]	B	4:3:3:	4:4:4:3:	3:3:3:	C[3x6]-4:B-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N-3:C-3:	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(NBC)	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(NBC){3|C<4>,3|H<1>}	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	125.7530	0.000	1	125.7530	0.000	1	123.9490	6.509	2	123.9490	6.509	2	123.9490	6.509	2	123.2930	4.545	3
956	466	770	0:SP2_SP2_SP3	N	C[3x6]	B	4:3:3:	4:4:4:3:	3:3:3:	C[3x6]-4:B-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N-3:C-3:	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	C[3x6](C[6,6]C[3x6]HH)3(NBC)	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	C[3x6](C[6,6]C[3x6]HH)3(NBC){3|C<4>,3|H<1>}	B(C[6a]C[6a]2)(NC[3x6]C)(CC[6a]C)	122.1450	0.000	1	122.1450	0.000	1	123.9490	6.509	2	123.9490	6.509	2	123.9490	6.509	2	123.2930	4.545	3
956	466	770	0:SP2_SP2_SP3	N	C[6]	B	4:4:3:	4:4:3:1:	3:4:3:	C[6]-4:C-4:B-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:C-4:N-3:	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C[6](C[6]C[6]HH)2(NBC)(H)	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C[6](C[6]C[6]HH)2(NBC)(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	121.9810	0.000	1	123.2930	4.545	3
956	466	813	0:SP3_SP2_SP3	N	C[6]	N[5a]	3:4:1:	3:4:3:1:	3:3:3:	N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H)	N(N[5a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]H)(NC[6]H){2|C<3>,2|H<1>}	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1	111.6660	0.000	1
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:1:	4:4:3:1:	2:2:3:	C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-2:O[5]-2:N-3:	N(C[5]N[5]O[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](N[5]C[5])(O[5]N[5])(NC[6]H)	N(C[5]N[5]O[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](N[5]C[5])(O[5]N[5])(NC[6]H){1|C<3>,1|C<4>}	122.1090	1.533	2	122.1090	2.350	2	122.1090	2.350	2	121.6847	1.715	3	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:1:	4:4:3:1:	2:2:3:	C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](N[5]C[5])(S[5]C[5])(NC[6]H)	N(C[5]N[5]S[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](N[5]C[5])(S[5]C[5])(NC[6]H){1|C<3>,2|H<1>}	120.8360	0.000	1	120.8360	0.000	1	120.8360	0.000	1	121.6847	1.715	3	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:1:	4:4:3:1:	3:2:3:	C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H)	N(C[5]C[5,6a]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NC[6]H){1|H<1>,1|N<2>,2|C<3>}	121.1565	0.203	2	121.1565	0.041	2	121.1565	0.041	2	121.1565	0.041	2	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:1:	4:4:3:1:	3:3:3:	C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H)	N(C[5]C[5,6a]C[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(NC[5]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NC[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	126.2550	0.000	1	126.2550	0.000	1	126.2550	0.000	1	126.2550	0.000	1	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:1:	4:4:3:1:	6:3:3:	C[5]-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-3:	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Ge[5]C[6])(NC[6]H)	N(C[5]C[5x3,6x5,20x6]N[5])(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Ge[5]C[6])(NC[6]H){1|Cl<1>,2|C<4>,5|B<6>,5|H<1>}	125.4730	0.000	1	125.4730	0.000	1	125.4730	0.000	1	125.4730	0.000	1	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	3:4:4:	4:4:3:1:	2:2:3:	C[5]-3:C[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[5]C)(H)	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NC[6]C)	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C[6](C[6]C[6]HH)2(NC[5]C)(H){1|C<4>,4|H<1>}	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NC[6]C){2|Cl<1>,1|C<3>,1|N<3>}	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	119.9390	0.000	1	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	4:3:1:	4:4:3:1:	3:2:3:	C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:N[5]-2:N-3:	N(C[6]C[6]2H)(C[5]N[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](N[5]C[5]C[6])(N[5]C[5])(NC[6]H)	N(C[6]C[6]2H)(C[5]N[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5])(NC[6]H){1|O<1>,2|C<4>,3|H<1>}	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-3:C[5]-3:N-3:	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H)	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]C)(C[5]N[5]N)(NC[6]H){1|C<3>,1|O<1>}	123.2580	0.175	2	123.2580	0.031	2	123.2580	0.031	2	123.2580	0.031	2	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5]-3:N-3:	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H)	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(NC[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	127.1830	0.000	1	127.1830	0.000	1	127.1295	0.006	2	127.1295	0.006	2	123.1380	6.636	13	123.1380	6.636	13
956	466	818	0:SP2_SP2_SP3	N	C[6]	C[5]	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C[5]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5]-3:N-3:	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6]H)	N(C[6]C[6]2H)(C[5]C[5]2)(H)	C[6](C[6]C[6]HH)2(NC[5]H)(H){1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(NC[6]H){4|H<1>}	127.0760	0.000	1	127.0760	0.000	1	127.1295	0.006	2	127.1295	0.006	2	123.1380	6.636	13	123.1380	6.636	13
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C[4]-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[4]-3:C[4]-3:N-3:	N(C[6]C[6]2H)(C[4]C[4]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H)	C[4](C[4]C[4]N)(C[4]C[4]S)(NC[6]H)	N(C[6]C[6]2H)(C[4]C[4]2)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NC[4]H)(H){1|C<4>,4|H<1>}	C[4](C[4]C[4]N)(C[4]C[4]S)(NC[6]H){1|S<1>}	125.2985	2.692	2	125.2985	7.247	2	125.2985	7.247	2	125.2985	7.247	2	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]B[4]C[6])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]B[4]C[6])2(NC[6]2){2|Cl<1>,2|H<1>,4|C<4>}	117.5050	0.000	1	117.5050	0.000	1	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]C[6a]Ga[4])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]Ga[4])2(NC[6]2){1|Ni<6>,4|C<3>}	119.0930	0.613	4	118.6283	0.299	23	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]C[6a]Ga[4])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]Ga[4])2(NC[6]2){1|Pt<4>,4|C<3>}	118.5736	0.482	16	118.6283	0.299	23	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]C[6a]Ga[4])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]Ga[4])2(NC[6]2){2|I<1>,4|C<3>}	118.9990	0.000	1	118.6283	0.299	23	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]C[6a]Ga[4])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]Ga[4])2(NC[6]2){4|C<3>}	117.9515	0.063	2	118.6283	0.299	23	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]C[6a]Ge[4])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]Ge[4])2(NC[6]2){1|Cl<1>,4|C<3>}	118.3525	0.008	2	118.3525	0.000	2	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]C[6a]In[4])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]In[4])2(NC[6]2){1|Pt<5>,4|C<3>}	118.3710	0.922	6	118.3710	0.849	6	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	846	0:SP2_SP2_SP3	N	C[6]	C[4]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[4]-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H)	C[4](N[4]C[6a]P[4])2(NC[6]2)	N(C[6]C[6]2H)2(C[4]N[4]2)	C[6](C[6]C[6]HH)2(NC[4]C[6])(H){1|C<4>,4|H<1>}	C[4](N[4]C[6a]P[4])2(NC[6]2){1|Cl<1>,4|C<3>}	118.6895	2.292	2	118.6895	5.252	2	118.5373	0.534	34	118.5373	0.534	34	118.9129	3.177	36	118.9129	3.177	36
956	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	2:2:3:2:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-2:N[6]-2:N-3:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|Cl<1>,1|N<3>,2|N<2>}	127.1260	0.976	2	127.1260	0.952	2	127.1260	0.952	2	127.1260	0.952	2	126.1901	4.692	11	126.1901	4.692	11
956	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:2:3:2:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)(NC[6]){1|N<2>,4|N<3>}	127.7770	0.000	2	127.7770	0.000	2	127.7770	0.000	2	127.7770	0.000	2	126.1901	4.692	11	126.1901	4.692	11
956	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{1|N<2>,4|N<3>}	128.6400	0.000	2	125.4693	5.923	7	125.4693	5.923	7	125.4693	5.923	7	126.1901	4.692	11	126.1901	4.692	11
956	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	123.5630	0.000	1	125.4693	5.923	7	125.4693	5.923	7	125.4693	5.923	7	126.1901	4.692	11	126.1901	4.692	11
956	466	849	0:SP2_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|N<2>,3|N<3>}	124.3605	1.514	4	125.4693	5.923	7	125.4693	5.923	7	125.4693	5.923	7	126.1901	4.692	11	126.1901	4.692	11
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	2:2:3:2:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-2:N[6]-2:N-3:N-2:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6])2(NC[6]H)(NC[6])	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6]H)(NC[6]){2|O<1>,3|N<2>}	126.6690	0.000	1	126.6690	0.000	1	126.6690	0.000	1	126.6690	0.000	1	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	2:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6])2(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6]H)2{1|N<2>,4|N<3>}	123.2380	2.337	4	122.9990	3.037	8	122.9990	3.037	8	122.9990	3.037	8	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	2:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6])2(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6])2(NC[6]H)2{5|N<3>}	122.7600	1.214	4	122.9990	3.037	8	122.9990	3.037	8	122.9990	3.037	8	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{1|N<2>,4|N<3>}	126.2000	0.000	2	126.9496	0.759	5	126.2380	1.983	7	126.2380	1.983	7	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]H)2{2|Cl<1>,1|N<2>,2|N<3>}	127.4493	0.762	3	126.9496	0.759	5	126.2380	1.983	7	126.2380	1.983	7	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:2:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H)	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]C)(N[6]P[6])(NC[6]Li)(NC[6]H){1|N<2>,4|N<3>}	124.4590	0.000	2	124.4590	0.000	2	126.2380	1.983	7	126.2380	1.983	7	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	3:3:3:3:	C[6]-4:P[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-3:N-3:N-3:	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](N[6]P[6]Sb)2(NC[6]H)2	N(C[6]C[6]2H)(P[6]N[6]2N)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](N[6]P[6]Sb)2(NC[6]H)2{1|N<2>,4|N<3>}	125.8380	0.000	1	125.8380	0.000	1	125.8380	0.000	1	125.8380	0.000	1	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:1:	4:4:3:1:	4:2:3:1:	P[6]-4:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6,6]-4:O[6]-2:N-3:O-1:	N(P[6]C[6,6]O[6]O)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H)	P[6](C[6,6]C[6,6a]C[6]2)(O[6]C[5,6,6])(NC[6]H)(O)	N(P[6]C[6,6]O[6]O)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NP[6]H)(H){1|C<4>,4|H<1>}	P[6](C[6,6]C[6,6a]C[6]2)(O[6]C[5,6,6])(NC[6]H)(O){1|H<1>,2|C<4>,5|C<3>}	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	122.0510	0.000	1	124.2409	6.735	19	124.2409	6.735	19
956	466	849	0:SP3_SP3_SP3	N	C[6]	P[6]	4:4:4:	4:4:3:1:	3:3:3:1:	C[6]-4:P[6]-4:C-4:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C[6](C[6]C[6]HH)2(NP[6]C)(H)	P[6](N[6]C[6]H)2(NC[6]C)(O)	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C[6](C[6]C[6]HH)2(NP[6]C)(H){1|C<4>,4|H<1>}	P[6](N[6]C[6]H)2(NC[6]C)(O){1|C<4>,4|H<1>}	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	124.2409	6.735	19	124.2409	6.735	19
956	466	863	0:SP2_SP2_SP3	N	C[3x6]	O	4:1:1:	4:4:4:3:	3:	C[3x6]-4:O-1:O-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:	N(C[3x6]C[6,6]3)(O)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO)	O(NC[3x6]O)	N(C[3x6]C[6,6]3)(O)2	C[3x6](C[6,6]C[3x6]HH)2(C[6,6]N[3x6]HH)(NOO){2|N<3>,3|C<4>}	O(NC[3x6]O)	117.7650	1.076	5	117.7650	1.158	5	117.7650	1.158	5	117.7650	1.158	5	117.7650	1.158	5	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[5x6]	O	4:1:1:	4:4:4:3:	3:	C[5x6]-4:O-1:O-1:	C[4x6]-4:C[4x6]-4:C[3x6]-4:N-3:	N-3:	N(C[5x6]C[3x6]C[4x6]2)(O)2	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO)	O(NC[5x6]O)	N(C[5x6]C[3x6]C[4x6]2)(O)2	C[5x6](C[4x6]C[4,3x6]C[6,6]H)(C[4x6]C[4,4x6]C[6]H)(C[3x6]N[6,6]N[6]H)(NOO){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	O(NC[5x6]O)	118.0780	1.328	4	118.0780	1.763	4	118.0780	1.763	4	118.0780	1.763	4	118.0780	1.763	4	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:1:	3:	C[6,6]-4:O-1:O-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	N-3:	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H)	O(NC[6,6]O)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(NC[6,6]O)	118.5200	2.352	4	118.5200	5.530	4	118.5200	5.530	4	118.3437	3.227	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:1:	3:	C[6,6]-4:O-1:O-1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	N-3:	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	O(NC[6,6]O)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	O(NC[6,6]O)	118.3645	1.906	2	118.2750	2.750	4	118.2750	2.750	4	118.3437	3.227	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:1:	3:	C[6,6]-4:O-1:O-1:	C[5,3x6]-4:C[6,6]-4:N-3:H-1:	N-3:	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	O(NC[6,6]O)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	C[6,6](C[5,3x6]C[5,6,6]C[5,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){1|C<3>,3|H<1>,5|C<4>}	O(NC[6,6]O)	118.1855	2.142	2	118.2750	2.750	4	118.2750	2.750	4	118.3437	3.227	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:1:	3:	C[6,6]-4:O-1:O-1:	C[5,4x6]-4:C[6,6]-4:N-3:H-1:	N-3:	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H)	O(NC[6,6]O)	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	C[6,6](C[5,4x6]C[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]HH)(NOO)(H){2|O<2>,3|H<1>,5|C<4>}	O(NC[6,6]O)	118.0315	3.082	2	118.0315	9.500	2	118.0315	9.500	2	118.3437	3.227	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:1:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	N-3:	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	O(NC[6,6]O)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,3|C<3>,5|H<1>}	O(NC[6,6]O)	118.1500	0.908	2	118.3922	2.419	4	118.3922	2.419	4	118.3437	3.227	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:1:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[3x6]-4:N-3:H-1:	N-3:	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H)	O(NC[6,6]O)	N(C[6,6]C[3x6]C[6,6]H)(O)2	C[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	O(NC[6,6]O)	118.6345	2.490	2	118.3922	2.419	4	118.3922	2.419	4	118.3437	3.227	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:3:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	N-3:	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO)	O(NC[6,6]O)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(NC[6,6]O)	118.4725	1.700	4	118.4725	2.889	4	118.2750	1.615	8	118.2750	1.615	8	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:3:3:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:C[6]-3:N-3:	N-3:	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO)	O(NC[6,6]O)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]CH)(C[6]N[6]HH)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	O(NC[6,6]O)	118.0775	0.881	4	118.0775	0.776	4	118.2750	1.615	8	118.2750	1.615	8	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:4:3:	3:	C[6,6]-4:O-1:O-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	N-3:	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO)	O(NC[6,6]O)	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(NOO){2|C<3>,4|C<4>,7|H<1>}	O(NC[6,6]O)	118.4938	1.049	6	118.4938	1.099	6	118.4938	1.099	6	118.3487	2.425	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:4:3:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	N-3:	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO)	O(NC[6,6]O)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]HO)(NOO){1|C<3>,2|C<4>,7|H<1>}	O(NC[6,6]O)	118.8930	2.322	2	118.8930	5.392	2	118.2399	3.687	8	118.3487	2.425	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:4:3:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	N-3:	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)	O(NC[6,6]O)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO){5|H<1>,7|C<3>}	O(NC[6,6]O)	118.6040	2.316	2	118.6040	5.366	2	118.2399	3.687	8	118.3487	2.425	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:4:3:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	N-3:	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	O(NC[6,6]O)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){1|C<4>,1|H<1>,6|C<3>}	O(NC[6,6]O)	118.1250	1.871	2	117.7313	4.298	4	118.2399	3.687	8	118.3487	2.425	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6,6]	O	4:1:1:	4:4:4:3:	3:	C[6,6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	N-3:	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO)	O(NC[6,6]O)	N(C[6,6]C[6,6]C[6]2)(O)2	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]O[6]HH)(NOO){4|H<1>,5|C<3>}	O(NC[6,6]O)	117.3375	2.962	2	117.7313	4.298	4	118.2399	3.687	8	118.3487	2.425	14	118.3304	2.423	36	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:3:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-3:C[6]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]H)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]H)2(NOO)(H){1|C<3>,2|N<3>}	O(NC[6]O)	117.5270	0.945	2	117.5270	0.892	2	117.5270	0.892	2	117.5270	0.892	2	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:3:4:3:	3:	C[6]-4:O-1:O-1:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	N-3:	N(C[6]C[6,6a]2C)(O)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO)	O(NC[6]O)	N(C[6]C[6,6a]2C)(O)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(NOO){2|H<1>,5|C<3>}	O(NC[6]O)	118.3630	1.099	2	118.3630	1.207	2	118.1505	1.189	4	118.1505	1.189	4	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:3:4:3:	3:	C[6]-4:O-1:O-1:	C[6,6a]-3:C[6,6a]-3:C-4:N-3:	N-3:	N(C[6]C[6,6a]2C)(O)2	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6,6a]2C)(O)2	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(NOO){1|C<4>,2|H<1>,4|C<3>}	O(NC[6]O)	117.9380	1.476	2	117.9380	2.180	2	118.1505	1.189	4	118.1505	1.189	4	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:4:3:3:	3:	C[6]-4:O-1:O-1:	C[5,6]-3:C[6]-4:N-3:N-3:	N-3:	N(C[6]C[5,6]C[6]N)(O)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2	O(NC[6]O)	N(C[6]C[5,6]C[6]N)(O)2	C[6](C[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(NOO)2{1|S<4>,2|C<3>,2|C<4>}	O(NC[6]O)	117.5002	1.794	4	117.5002	3.217	4	117.5002	3.217	4	117.4984	1.596	16	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:4:3:3:	3:	C[6]-4:O-1:O-1:	C[6,6]-3:C[6]-4:N-3:N-3:	N-3:	N(C[6]C[6,6]C[6]N)(O)2	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2	O(NC[6]O)	N(C[6]C[6,6]C[6]N)(O)2	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]HH)(NOO)2{1|N<3>,3|C<4>}	O(NC[6]O)	116.8660	1.089	4	116.8660	1.186	4	116.8660	1.186	4	117.4984	1.596	16	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:4:3:3:	3:	C[6]-4:O-1:O-1:	C[6]-3:C[6]-4:N-3:N-3:	N-3:	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2	O(NC[6]O)	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NOO)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	O(NC[6]O)	117.3522	1.399	4	117.3522	1.957	4	117.3522	1.957	4	117.4984	1.596	16	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:4:3:3:	3:	C[6]-4:O-1:O-1:	C[6a]-3:C[6]-4:C[6]-3:N-3:	N-3:	N(C[6]C[6a]C[6]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO)	O(NC[6]O)	N(C[6]C[6a]C[6]2)(O)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NOO){1|C<4>,2|C<3>,6|H<1>}	O(NC[6]O)	118.2752	0.505	4	118.2752	0.255	4	118.2752	0.255	4	117.4984	1.596	16	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-3:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CCHH)(NOO){2|C<3>,2|H<1>}	O(NC[6]O)	118.1140	1.711	2	118.1140	2.928	2	118.1140	2.928	2	117.7892	2.543	4	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	3:4:4:3:	3:	C[6]-4:O-1:O-1:	N[5a]-3:C[6]-4:C[6]-4:N-3:	N-3:	N(C[6]N[5a]C[6]2)(O)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO)	O(NC[6]O)	N(C[6]N[5a]C[6]2)(O)2	C[6](N[5a]N[5a]2)(C[6]C[6]HH)2(NOO){1|C<4>,2|C<3>,4|H<1>}	O(NC[6]O)	117.4645	2.068	2	117.4645	4.278	2	117.4645	4.278	2	117.7892	2.543	4	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	O(NC[6]O)	118.7080	0.826	2	118.7080	0.682	2	118.1785	1.684	12	118.1785	1.684	12	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(NOO)(H){4|C<3>}	O(NC[6]O)	118.2655	1.459	8	118.2655	2.129	8	118.1785	1.684	12	118.1785	1.684	12	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	O(NC[6]O)	117.3010	0.880	2	117.3010	0.774	2	118.1785	1.684	12	118.1785	1.684	12	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(CCHH)(NOO){4|C<3>}	O(NC[6]O)	118.2915	0.716	2	118.2915	0.513	2	118.0469	1.236	14	118.0469	1.236	14	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NOO){4|C<3>}	O(NC[6]O)	117.8383	0.703	4	117.8383	0.495	4	118.0469	1.236	14	118.0469	1.236	14	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CH3)(NOO){1|C<4>,2|C<3>}	O(NC[6]O)	118.6225	1.292	2	118.6225	1.669	2	118.0469	1.236	14	118.0469	1.236	14	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]CH)(NOO){1|C<4>,4|H<1>}	O(NC[6]O)	118.0400	0.847	2	118.0400	0.718	2	118.0469	1.236	14	118.0469	1.236	14	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:3:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)(NOO){1|H<1>,5|C<3>}	O(NC[6]O)	117.8487	1.878	4	117.8487	3.525	4	118.0469	1.236	14	118.0469	1.236	14	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[3,5,6]C[5,5,6]H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(NC[6]O)	118.9750	1.782	2	118.9750	3.175	2	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|H<1>,3|C<4>}	O(NC[6]O)	118.1295	2.146	2	118.1295	4.606	2	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,3|H<1>,4|C<3>}	O(NC[6]O)	118.6810	1.444	2	118.6810	2.085	2	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	O(NC[6]O)	117.7580	0.903	10	117.8174	0.764	14	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	O(NC[6]O)	117.9660	0.907	4	117.8174	0.764	14	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	O(NC[6]O)	117.7165	0.617	4	117.7165	0.381	4	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]C[5]2O[6])(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,2|O<1>,5|C<3>}	O(NC[6]O)	117.8935	0.152	2	117.8935	0.023	2	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,3|C<3>,3|C<4>}	O(NC[6]O)	118.3020	1.540	2	118.3020	2.372	2	118.0097	1.007	28	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]2H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]2H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6]O)(NOO)(H){2|C<3>,3|C<4>,5|H<1>}	O(NC[6]O)	118.2375	1.668	2	118.2375	2.782	2	118.2375	2.782	2	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	O(NC[6]O)	118.1248	0.199	4	118.1248	0.040	4	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	O(NC[6]O)	118.0782	1.720	4	118.0782	2.958	4	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(NOO)(H){1|C<3>,3|C<4>,4|H<1>}	O(NC[6]O)	118.8070	1.476	2	118.8070	2.180	2	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,4|C<3>,4|H<1>}	O(NC[6]O)	117.8870	0.921	2	118.0747	0.516	4	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6a]C[6]H)(NOO)(H){3|C<4>,3|H<1>,4|C<3>}	O(NC[6]O)	118.2625	0.747	2	118.0747	0.516	4	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	O(NC[6]O)	117.6220	0.444	2	117.6220	0.197	2	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	O(NC[6]O)	118.1813	0.848	4	118.1813	0.719	4	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HO)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	O(NC[6]O)	117.8195	0.827	2	117.8195	0.683	2	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|C<4>,1|H<1>,6|C<3>}	O(NC[6]O)	118.2047	1.482	6	118.4206	2.040	10	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,5|C<3>}	O(NC[6]O)	118.5955	1.600	2	118.4206	2.040	10	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){7|C<3>}	O(NC[6]O)	118.8935	2.009	2	118.4206	2.040	10	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5,6]C[6a]H)(NOO)(H){2|C<4>,6|C<3>}	O(NC[6]O)	117.7657	0.335	4	117.7657	0.112	4	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	O(NC[6]O)	117.8845	0.518	4	117.8845	0.268	4	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6a]C[6]H)(NOO)(H){3|C<3>,3|C<4>,3|H<1>}	O(NC[6]O)	117.8575	0.234	2	117.8575	0.055	2	118.1156	0.945	42	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6,6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(NOO)(H){2|C<4>,3|C<3>,8|H<1>}	O(NC[6]O)	117.8440	0.942	2	117.8440	0.887	2	117.8440	0.887	2	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:Br-1:	N-3:	N(C[6]C[6]2Br)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br)	O(NC[6]O)	N(C[6]C[6]2Br)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6,6a]HO)(NOO)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(NC[6]O)	117.6785	2.231	2	117.6785	4.977	2	117.4862	1.726	4	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:Br-1:	N-3:	N(C[6]C[6]2Br)(O)2	C[6](C[6]O[6]HH)2(NOO)(Br)	O(NC[6]O)	N(C[6]C[6]2Br)(O)2	C[6](C[6]O[6]HH)2(NOO)(Br){1|P<4>}	O(NC[6]O)	117.2940	0.229	2	117.2940	0.052	2	117.4862	1.726	4	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]CH)(C[6]C[6,6]HO)(NOO)(H){1|C<4>,1|H<1>,3|C<3>}	O(NC[6]O)	117.8940	0.204	2	117.8940	0.041	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	O(NC[6]O)	117.3840	1.568	2	117.3840	2.460	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[5]C[6]H)(NOO)(H){1|Fe<10>,1|H<1>,4|C<3>,4|C<4>}	O(NC[6]O)	117.6320	0.171	2	117.6320	0.029	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){1|N<3>,2|H<1>,4|C<3>}	O(NC[6]O)	118.0360	2.885	2	118.0360	8.323	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	O(NC[6]O)	118.5388	1.270	6	118.5388	1.614	6	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,1|N<3>,2|C<4>,5|C<3>}	O(NC[6]O)	117.6937	1.618	10	117.8187	2.290	16	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){1|H<1>,2|C<4>,6|C<3>}	O(NC[6]O)	117.8055	1.539	2	117.8187	2.290	16	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|H<1>,7|C<3>}	O(NC[6]O)	118.1377	1.617	4	117.8187	2.290	16	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5,6]C[6a]H)(C[6]N[6]CH)(NOO)(H){2|C<4>,4|C<3>}	O(NC[6]O)	117.5005	0.835	2	117.5005	0.697	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5]O[6]H)(C[6]C[6]HO)(NOO)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	O(NC[6]O)	118.3540	2.124	4	118.3540	4.509	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(NOO)(H){2|H<1>,4|C<3>}	O(NC[6]O)	118.1955	0.412	2	118.1955	0.170	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	O(NC[6]O)	118.0550	1.594	2	118.0550	2.540	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]HH)(NOO)(H){4|C<3>}	O(NC[6]O)	117.9640	2.806	2	117.9640	7.873	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]CH)(NOO)(H){3|C<3>}	O(NC[6]O)	118.7830	1.215	2	118.7830	1.476	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[5a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|O<2>,2|H<1>,3|C<3>}	O(NC[6]O)	118.4027	0.336	4	118.4027	0.113	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[5a]H)(C[6]C[6,6]HO)(NOO)(H){2|C<3>,2|H<1>,3|O<2>}	O(NC[6]O)	117.8330	0.349	2	117.8330	0.122	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	O(NC[6]O)	117.9675	0.764	8	117.9675	0.584	8	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]C[6]H)(NOO)(H){2|C<4>,2|H<1>,5|C<3>}	O(NC[6]O)	118.5850	1.396	2	118.5850	1.948	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	O(NC[6]O)	117.9383	1.843	6	117.9383	3.398	6	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]N[6]CH)(NOO)(H){1|S<4>,2|C<3>}	O(NC[6]O)	117.3658	0.848	6	117.3658	0.719	6	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(NOO)(H){2|C<3>}	O(NC[6]O)	117.9650	1.079	8	117.9650	1.165	8	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]CH)(NOO)(H){4|C<3>}	O(NC[6]O)	117.7615	0.429	4	117.7615	0.184	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	O(NC[6]O)	117.7500	2.732	2	117.7500	7.465	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6]H)(NOO)(H){1|H<1>,6|C<3>}	O(NC[6]O)	117.8505	1.026	2	117.8505	1.053	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]HH)(NOO)(H){4|C<3>}	O(NC[6]O)	117.9952	1.533	6	117.9952	2.350	6	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(NC[6]O)	118.3580	2.010	2	118.2562	3.113	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]2H)(C[6]C[6]HH)(NOO)(H){1|C<3>,2|C<4>,5|H<1>}	O(NC[6]O)	118.1545	2.293	2	118.2562	3.113	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CC)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	O(NC[6]O)	118.2060	0.110	2	118.2060	0.012	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(H){1|C<4>,4|H<1>}	O(NC[6]O)	117.0535	0.161	2	117.0535	0.026	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HO)(NOO)(H){1|C<4>,1|N<2>,3|H<1>}	O(NC[6]O)	117.7295	1.757	2	117.7295	3.088	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NOO)(H){1|C<4>,2|H<1>}	O(NC[6]O)	117.7910	0.330	2	117.7910	0.109	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HO)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6]HO)2(NOO)(H){1|C<4>,2|H<1>,2|O<2>}	O(NC[6]O)	118.1140	1.427	2	118.1140	2.036	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]CH)(NOO)(H){1|C<4>,1|H<1>,5|C<3>}	O(NC[6]O)	118.2850	0.386	2	118.2850	0.149	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(NOO)(H){1|H<1>,5|C<3>}	O(NC[6]O)	118.3095	0.337	2	118.3095	0.114	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]CH)(NOO)(H){2|H<1>,4|C<3>}	O(NC[6]O)	117.7675	0.586	2	117.7675	0.344	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]HO)(NOO)(H){1|H<1>,5|C<3>}	O(NC[6]O)	118.2315	1.648	4	118.2315	2.715	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]HH)(NOO)(H){2|C<3>,2|C<4>,3|H<1>}	O(NC[6]O)	118.5138	0.722	6	118.5138	0.522	6	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	O(NC[6]O)	117.7760	1.124	2	118.3001	0.870	10	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(NOO)(H){3|C<3>,4|H<1>}	O(NC[6]O)	118.4311	0.917	8	118.3001	0.870	10	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CO)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	O(NC[6]O)	117.8250	2.353	2	117.8250	5.538	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,3|C<3>,3|H<1>}	O(NC[6]O)	118.5820	0.617	2	118.3955	0.191	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(NOO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	O(NC[6]O)	118.2090	0.233	2	118.3955	0.191	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){1|H<1>,2|C<4>,3|C<3>}	O(NC[6]O)	117.9778	0.789	4	118.0586	0.958	10	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HN)(NOO)(H){3|C<3>,3|H<1>}	O(NC[6]O)	118.1125	1.158	6	118.0586	0.958	10	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(NOO)(H){3|C<3>,4|H<1>}	O(NC[6]O)	118.6635	1.949	2	118.6635	3.801	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){1|H<1>,3|C<4>,4|C<3>}	O(NC[6]O)	117.7990	1.177	2	117.4545	2.140	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[5]H)(NOO)(H){2|C<4>,3|C<3>,3|H<1>}	O(NC[6]O)	117.1100	2.135	2	117.4545	2.140	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]O)(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O(NC[6]O)	118.2295	1.910	2	118.2295	3.648	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(NOO)(H){1|F<1>,1|H<1>,6|C<3>}	O(NC[6]O)	117.8890	0.578	2	117.8890	0.335	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(NOO)(H){1|C<4>,2|H<1>,4|C<3>}	O(NC[6]O)	118.1930	1.044	4	118.1930	1.089	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6,6]CH)(NOO)(H){1|H<1>,2|C<3>,3|C<4>}	O(NC[6]O)	117.7715	2.220	2	117.7715	4.927	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]N[6]CH)(NOO)(H){1|C<4>,4|C<3>}	O(NC[6]O)	118.1675	0.384	2	118.1675	0.147	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]O[6]CH)(NOO)(H){1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O(NC[6]O)	117.9005	0.496	2	117.9005	0.246	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	O(NC[6]O)	117.9080	0.365	4	117.9357	0.853	24	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	O(NC[6]O)	118.1465	0.062	2	117.9357	0.853	24	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|C<4>,2|H<1>,6|C<3>}	O(NC[6]O)	118.0930	0.407	2	117.9357	0.853	24	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){1|H<1>,7|C<3>}	O(NC[6]O)	118.1725	1.918	2	117.9357	0.853	24	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){2|H<1>,6|C<3>}	O(NC[6]O)	117.9501	0.611	10	117.9357	0.853	24	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]C[6]H)2(NOO)(H){3|C<2>,5|C<3>}	O(NC[6]O)	117.6252	1.946	4	117.9357	0.853	24	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(NOO)(H){1|H<1>,4|C<3>}	O(NC[6]O)	118.2505	1.119	2	118.2505	1.253	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(NOO)(H){1|O<2>,1|S<4>,2|C<3>,2|H<1>}	O(NC[6]O)	117.7150	1.072	2	117.7150	1.149	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	O(NC[6]O)	118.1744	0.849	22	118.1744	0.721	22	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,1|O<2>,4|C<3>}	O(NC[6]O)	118.2855	1.200	2	118.1105	1.131	8	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){1|H<1>,4|C<3>}	O(NC[6]O)	118.2138	0.525	4	118.1105	1.131	8	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NOO)(H){3|C<3>,3|H<1>}	O(NC[6]O)	117.7290	2.292	2	118.1105	1.131	8	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]N[6,6]HH)(NOO)(H){1|H<1>,4|C<3>}	O(NC[6]O)	118.5250	1.697	2	118.5250	2.880	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	O(NC[6]O)	117.4150	0.880	2	117.4150	0.774	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	O(NC[6]O)	118.1276	0.537	8	118.1276	0.288	8	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(NOO)(H){4|C<3>}	O(NC[6]O)	118.4295	0.651	2	118.4295	0.424	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HN)(NOO)(H){4|C<3>}	O(NC[6]O)	118.0885	2.497	2	118.0885	6.234	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]CH)(NOO)(H){4|C<3>}	O(NC[6]O)	117.6790	0.819	2	117.6790	0.670	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]HO)(NOO)(H){4|C<3>}	O(NC[6]O)	117.9761	0.931	8	117.9761	0.867	8	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[5,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	O(NC[6]O)	118.7435	1.083	2	118.7435	1.172	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[5a]H)(C[6]C[6]HH)(NOO)(H){1|C<4>,1|O<2>,3|C<3>}	O(NC[6]O)	117.8180	2.234	2	117.8180	4.993	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]C[6a]H)(C[6]C[6]CO)(NOO)(H){2|C<3>,2|C<4>,2|H<1>}	O(NC[6]O)	118.0305	1.129	4	118.0305	1.275	4	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:1:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	C[6](C[6]N[6,6]HH)(C[6]C[6]CO)(NOO)(H){2|C<4>,2|H<1>}	O(NC[6]O)	118.1105	0.158	2	118.1105	0.025	2	118.0396	1.155	264	118.0401	1.115	342	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:2:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:N-2:	N-3:	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN)	O(NC[6]O)	N(C[6]C[6]2N)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NOO)(NN){2|C<4>,3|H<1>}	O(NC[6]O)	118.0710	1.598	2	118.0710	2.554	2	117.8340	1.500	4	117.8340	1.500	4	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:2:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:N-3:N-2:	N-3:	N(C[6]C[6]2N)(O)2	C[6](C[6]N[6]HH)2(NOO)(NN)	O(NC[6]O)	N(C[6]C[6]2N)(O)2	C[6](C[6]N[6]HH)2(NOO)(NN){1|C<4>,2|N<3>}	O(NC[6]O)	117.5970	1.312	2	117.5970	1.722	2	117.8340	1.500	4	117.8340	1.500	4	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CC[6a]C)(NOO){1|C<3>,1|C<4>,3|H<1>}	O(NC[6]O)	118.4400	0.538	4	118.4400	0.290	4	118.0078	2.338	12	118.0078	2.338	12	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(COO)(NOO){1|C<4>,4|C<3>}	O(NC[6]O)	118.0415	2.695	2	118.0415	7.262	2	118.0078	2.338	12	118.0078	2.338	12	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:3:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(COO)(NOO){1|H<1>,1|O<2>,4|C<3>}	O(NC[6]O)	117.7083	1.806	6	117.7083	3.260	6	118.0078	2.338	12	118.0078	2.338	12	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]CH)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	O(NC[6]O)	117.9550	1.252	2	117.9550	1.566	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	O(NC[6]O)	117.8055	2.043	2	117.8055	4.173	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]HS)(C[6]O[6]CH)(CH3)(NOO){2|C<3>}	O(NC[6]O)	117.7648	1.412	4	117.7648	1.994	4	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6,6a]N[5a]H)(C[6]O[6]CH)(CH3)(NOO){1|N<2>,3|C<3>}	O(NC[6]O)	117.6325	0.746	2	117.6325	0.557	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)(NOO){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	O(NC[6]O)	118.3455	1.976	2	118.3455	3.906	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(NOO){1|C<3>,3|H<1>}	O(NC[6]O)	118.8705	1.529	4	118.8705	2.338	4	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CBrHH)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(NC[6]O)	117.8480	0.902	2	117.8480	0.814	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HH)2(CH3)(NOO){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	O(NC[6]O)	118.2085	0.866	2	118.2085	0.750	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(NOO){1|C<4>,1|H<1>,1|O<2>}	O(NC[6]O)	118.0685	2.477	2	118.0685	6.136	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(NC[6]O)	118.2485	0.788	2	118.2485	0.622	2	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:1:1:	4:4:4:3:	3:	C[6]-4:O-1:O-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CF3)(NOO){1|C<4>,2|C<3>,4|H<1>}	O(NC[6]O)	118.1776	0.711	8	118.1776	0.506	8	118.1308	1.254	32	118.1308	1.254	32	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:2:1:	4:4:3:2:	3:	C[6]-4:N-2:O-1:	C[6]-4:C[6]-4:N-3:O-2:	N-3:	N(C[6]C[6]2O)(NC[6])(O)	C[6](C[6]O[6]HH)2(NNO)(OC)	O(NC[6]N)	N(C[6]C[6]2O)(NC[6])(O)	C[6](C[6]O[6]HH)2(NNO)(OC){1|C<4>}	O(NC[6]N)	116.2340	0.000	1	116.2340	0.000	1	116.2340	0.000	1	116.2340	0.000	1	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:3:1:	4:3:3:3:	3:	C[6]-4:N-3:O-1:	C[6]-4:C[6]-3:C-3:N-3:	N-3:	N(C[6]C[6]2C)(NC[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO)	O(NC[6]N)	N(C[6]C[6]2C)(NC[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NNO){1|C<4>,4|H<1>}	O(NC[6]N)	120.5500	0.000	1	120.5500	0.000	1	120.5500	0.000	1	120.5500	0.000	1	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6,6]C[6]H)(CCH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	O(NC[6]C)	N(C[6]C[6,6]C[6]H)(CCH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	O(NC[6]C)	115.3180	0.000	1	115.3180	0.000	1	115.3180	0.000	1	115.2930	0.001	2	118.0141	1.237	446	118.0352	1.324	491
956	466	863	0:SP2_SP2_SP3	N	C[6]	O	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:	N(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]HH)2(NCO)(H)	O(NC[6]C)	N(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]HH)2(NCO)(H){1|C<4>,4|H<1>}	O(NC[6]C)	115.2680	0.000	1	115.2680	0.000	1	115.2680	0.000	1	115.2930	0.001	2	118.0141	1.237	446	118.0352	1.324	491
956	466	880	0:SP2_SP3_SP3	N	C[3x6]	Si	4:4:1:	4:4:4:3:	3:3:1:1:	C[3x6]-4:Si-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[5]-3:N-3:Cl-1:Cl-1:	N(C[3x6]C[6,6]3)(SiC[5]Cl2)(H)	C[3x6](C[6,6]C[3x6]HH)3(NSiH)	Si(C[5]C[5]N[5])(NC[3x6]H)(Cl)2	N(C[3x6]C[6,6]3)(SiC[5]Cl2)(H)	C[3x6](C[6,6]C[3x6]HH)3(NSiH){3|C<4>,3|H<1>}	Si(C[5]C[5]N[5])(NC[3x6]H)(Cl)2	134.4200	0.000	1	134.4200	0.000	1	134.4200	0.000	1	134.4200	0.000	1	133.0840	3.570	2	130.0210	13.807	4
956	466	880	0:SP2_SP3_SP3	N	C[3x6]	Si	4:4:1:	4:4:4:3:	3:4:4:4:	C[3x6]-4:Si-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:Si-4:Si-4:Si-4:	N(C[3x6]C[6,6]3)(SiSi3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NSiH)	Si(NC[3x6]H)(SiC3)3	N(C[3x6]C[6,6]3)(SiSi3)(H)	C[3x6](C[6,6]C[3x6]HH)3(NSiH){3|C<4>,3|H<1>}	Si(NC[3x6]H)(SiC3)3	131.7480	0.000	1	131.7480	0.000	1	131.7480	0.000	1	131.7480	0.000	1	133.0840	3.570	2	130.0210	13.807	4
956	466	880	0:SP2_SP3_SP3	N	C[6]	Si	4:4:3:	4:4:3:1:	3:4:4:4:	C[6]-4:Si-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:C-4:	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H)	Si(NC[6]C)(CH3)3	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	Si(NC[6]C)(CH3)3	126.9580	0.569	2	126.9580	0.323	2	126.9580	0.323	2	126.9580	0.323	2	126.9580	0.323	2	130.0210	13.807	4
956	466	880	0:SP3_SP3_SP3	N	C[3x6]	Si	4:4:4:	4:4:4:3:	3:4:4:4:	C[3x6]-4:Si[4]-4:Si-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:C-4:C-4:	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]Si)	Si(NC[3x6]Si[4])(CH3)3	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	C[3x6](C[6,6]C[3x6]HH)3(NSi[4]Si){3|C<4>,3|H<1>}	Si(NC[3x6]Si[4])(CH3)3	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	122.3340	3.864	2
956	466	880	0:SP3_SP3_SP3	N	C[6]	Si	4:4:4:	4:4:3:1:	3:4:4:4:	C[6]-4:C-4:Si-4:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:C-4:	N(C[6]C[6]2H)(CZrCN)(SiC3)	C[6](C[6]C[6]HH)2(NSiC)(H)	Si(NC[6]C)(CH3)3	N(C[6]C[6]2H)(CZrCN)(SiC3)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	Si(NC[6]C)(CH3)3	123.7240	0.000	1	123.7240	0.000	1	123.7240	0.000	1	123.7240	0.000	1	123.7240	0.000	1	122.3340	3.864	2
956	466	882	0:SP3_SP3_SP3	N	C[6]	P[4]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:P[4]-3:P-3:	C[6]-4:C[6]-4:N-3:H-1:	N[4]-3:N[4]-3:N-3:	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	C[6](C[6]C[6]HH)2(NP[4]P)(H)	P[4](N[4]P[4]C)2(NC[6]P)	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	C[6](C[6]C[6]HH)2(NP[4]P)(H){1|C<4>,4|H<1>}	P[4](N[4]P[4]C)2(NC[6]P){1|N<3>}	118.0690	0.000	1	118.0690	0.000	1	118.0690	0.000	1	118.0690	0.000	1	118.0690	0.000	1	118.0690	0.000	1
956	466	887	0:SP2_SP3_SP3	N	C[6]	S	4:3:1:	3:3:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	S(NC[6]H)(CC3)(O)	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	117.0337	0.191	3	117.0337	0.191	3
956	466	887	0:SP2_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	S(NC[6]H)(CC3)(O)	116.9420	0.000	1	116.9420	0.000	1	117.2255	0.161	2	117.2255	0.161	2	117.0337	0.191	3	117.0337	0.191	3
956	466	887	0:SP2_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	S(NC[6]H)(CC3)(O)	117.5090	0.000	1	117.5090	0.000	1	117.2255	0.161	2	117.2255	0.161	2	117.0337	0.191	3	117.0337	0.191	3
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:3:4:3:	3:4:1:	C[6]-4:S-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	S(NC[6]H)(CC3)(O)	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,1|H<1>}	S(NC[6]H)(CC3)(O)	117.1090	0.000	1	115.6965	3.990	2	115.6965	3.990	2	115.6965	3.990	2	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:3:4:3:	3:4:1:	C[6]-4:S-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS)	S(NC[6]H)(CC3)(O)	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CCHH)(NHS){1|C<3>,2|H<1>}	S(NC[6]H)(CC3)(O)	114.2840	0.000	1	115.6965	3.990	2	115.6965	3.990	2	115.6965	3.990	2	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	S(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6,6a]C[6]H)(SC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	S(C[6a]C[6a]2)(NC[6]H)(O)	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5a,6]C[6]H)(SCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[5a,6]C[6]H)(SCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NHS)(H){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	S(NC[6]H)(CC3)(O)	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	117.1662	1.617	9	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	S(NC[6]H)(CC3)(O)	118.2310	0.000	1	118.2310	0.000	1	116.9459	1.348	8	117.1662	1.617	9	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	S(NC[6]H)(CC3)(O)	116.7265	1.709	2	116.8840	1.535	3	116.9459	1.348	8	117.1662	1.617	9	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	S(NC[6]H)(CC3)(O)	117.1990	0.000	1	116.8840	1.535	3	116.9459	1.348	8	117.1662	1.617	9	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]H)(SCO)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	S(NC[6]H)(CC3)(O)	116.6710	1.211	4	116.6710	1.467	4	116.9459	1.348	8	117.1662	1.617	9	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	3:4:4:3:	3:4:1:	C[6]-4:S-3:H-1:	C[6,6a]-3:C[6]-4:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]C)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[6]C)(SCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(NHS){1|C<4>,2|C<3>,3|H<1>}	S(NC[6]H)(CC3)(O)	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	117.6820	0.000	1	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[5,6]H)(SCO)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6,6a]C[5,6]H)(SCO)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	S(NC[6]H)(CC3)(O)	115.2840	0.349	2	115.2840	0.122	2	115.2840	0.122	2	115.2840	0.122	2	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	4:3:4:3:	3:4:1:	C[6]-4:S-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS)	S(NC[6]H)(CC3)(O)	N(C[6]C[6]2C)(SCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)(NHS){1|C<4>,3|H<1>}	S(NC[6]H)(CC3)(O)	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	122.6430	0.000	1	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6]CO)(C[6]C[6]HH)(NHS)(H){1|C<4>,4|H<1>}	S(NC[6]H)(CC3)(O)	115.8860	0.000	1	115.8860	0.000	1	115.1957	0.701	3	115.1957	0.701	3	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:S-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H)	S(NC[6]H)(CC3)(O)	N(C[6]C[6]2H)(SCO)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,4|H<1>}	S(NC[6]H)(CC3)(O)	114.8505	0.829	2	114.8505	0.688	2	115.1957	0.701	3	115.1957	0.701	3	116.6840	3.793	20	116.6840	3.793	20
956	466	887	0:SP3_SP3_SP3	N	C[6]	S	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C-4:S-3:	C[5a,6]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H)	S(NC[6]C)(CC3)(O)	N(C[6]C[5a,6]C[6]H)(CCHH)(SCO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CC)(NCS)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	S(NC[6]C)(CC3)(O)	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	116.6840	3.793	20	116.6840	3.793	20
956	466	892	0:SP3_SP3_SP3	N	C[6]	N	4:4:1:	4:4:3:1:	3:4:4:1:	C[6]-4:N-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-4:H-1:	N(C[6]C[6]2H)(NCCH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H)	N(NC[6]H)(CH3)2(H)	N(C[6]C[6]2H)(NCCH)(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]HH)(NHN)(H){1|C<4>,2|C<3>,4|H<1>}	N(NC[6]H)(CH3)2(H)	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1
956	466	893	0:SP2_SP3_SP3	N	C[3x6]	O	4:2:1:	4:4:4:3:	3:1:	C[3x6]-4:O-2:H-1:	C[6,6]-4:C[3x6]-4:C[6,6]-4:N-3:	N-3:H-1:	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO)	O(NC[3x6]H)(H)	N(C[3x6]C[3x6]C[6,6]2)(OH)(H)	C[3x6](C[6,6]C[6,6]C[6]H)(C[3x6]C[6,6]2H)(C[6,6]N[6]2H)(NHO){1|N<2>,3|C<3>,3|H<1>,4|C<4>}	O(NC[3x6]H)(H)	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	112.6803	26.349	7
956	466	893	0:SP2_SP3_SP3	N	C[6]	O	3:4:2:	4:3:3:1:	3:1:	C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6]-3:N-3:H-1:	N-3:H-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H)	O(NC[6a]C[6])(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NC[6a]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	O(NC[6a]C[6])(H)	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	106.5900	0.000	1	113.4460	26.694	6	112.6803	26.349	7
956	466	893	0:SP2_SP3_SP3	N	C[6]	O	3:4:2:	4:4:3:1:	3:1:	C[4a]-3:C[6]-4:O-2:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(NC[4a]O)(H)	O(NC[4a]C[6])(H)	N(C[4a]C[4a]2)(C[6]C[6]2H)(OH)	C[6](C[6]C[6]HH)2(NC[4a]O)(H){1|C<4>,4|H<1>}	O(NC[4a]C[6])(H)	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	113.4460	26.694	6	112.6803	26.349	7
956	466	893	0:SP2_SP3_SP3	N	C[6]	O	4:3:2:	4:4:3:1:	4:3:	C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	O(C[6]C[6]2C)(NC[6]C)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	O(C[6]C[6]2C)(NC[6]C)	119.4155	0.357	2	119.4155	0.128	2	119.4155	0.128	2	119.4155	0.128	2	113.4460	26.694	6	112.6803	26.349	7
956	466	893	0:SP2_SP3_SP3	N	C[6]	O	4:3:2:	4:4:3:2:	3:1:	C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:N-3:C-2:	N-3:H-1:	N(C[6]C[6]2C)(CNO)(OH)	C[6](C[6]C[6]HH)2(NCO)(CN)	O(NC[6]C)(H)	N(C[6]C[6]2C)(CNO)(OH)	C[6](C[6]C[6]HH)2(NCO)(CN){1|C<4>,4|H<1>}	O(NC[6]C)(H)	110.7175	0.200	2	110.7175	0.040	2	110.7175	0.040	2	110.7175	0.040	2	113.4460	26.694	6	112.6803	26.349	7
956	466	893	0:SP3_SP3_SP3	N	C[3x6]	O	4:4:2:	4:4:4:3:	4:3:	C[3x6]-4:C[3x6]-4:O-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C-4:N-3:	N(C[3x6]C[6,6]3)2(OC)	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O)	O(CC[6a]CH)(NC[3x6]2)	N(C[3x6]C[6,6]3)2(OC)	C[3x6](C[6,6]C[3x6]HH)3(NC[3x6]O){3|C<4>,3|H<1>}	O(CC[6a]CH)(NC[3x6]2)	106.5170	2.206	2	106.5170	4.867	2	106.5170	4.867	2	106.5170	4.867	2	106.5170	4.867	2	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:2:1:	3:3:3:3:	3:1:	C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:C-3:N-3:	N-3:H-1:	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]N[6]O)2(CCN)(NHO)	O(NC[6]H)(H)	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]N[6]O)2(CCN)(NHO){1|C<3>,2|C<4>}	O(NC[6]H)(H)	105.8260	0.071	2	105.8260	0.005	2	106.1707	0.359	3	106.1707	0.359	3	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:2:1:	3:3:3:3:	3:1:	C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:C-3:N-3:	N-3:H-1:	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]O[6]O)2(CCN)(NHO)	O(NC[6]H)(H)	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]O[6]O)2(CCN)(NHO){1|C<4>}	O(NC[6]H)(H)	106.8600	0.000	1	106.8600	0.000	1	106.1707	0.359	3	106.1707	0.359	3	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:2:1:	3:3:3:3:	3:4:	C[6]-4:O-2:H-1:	C[5a,6]-3:C[6]-3:C-3:N-3:	N-3:C-4:	N(C[6]C[5a,6]C[6]C)(OC)(H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO)	O(NC[6]H)(CH3)	N(C[6]C[5a,6]C[6]C)(OC)(H)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(COO)(NHO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(NC[6]H)(CH3)	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	105.5290	0.000	1	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:2:1:	3:3:4:3:	3:1:	C[6]-4:O-2:H-1:	C[6]-3:C[6]-3:C-4:N-3:	N-3:H-1:	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO)	O(NC[6]H)(H)	N(C[6]C[6]2C)(OH)(H)	C[6](C[6]N[6]O)2(CC[6a]HH)(NHO){1|C<3>,2|C<4>}	O(NC[6]H)(H)	106.2993	0.154	3	106.2993	0.024	3	106.2993	0.024	3	106.2993	0.024	3	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:2:1:	4:4:3:1:	3:4:	C[6]-4:O-2:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:	N(C[6]C[5,6]C[6]H)(OC)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H)	O(NC[6]H)(CH3)	N(C[6]C[5,6]C[6]H)(OC)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]HH)(NHO)(H){2|H<1>,6|C<3>}	O(NC[6]H)(CH3)	105.9750	0.000	1	105.9750	0.000	1	105.9750	0.000	1	106.2395	0.140	2	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:2:1:	4:4:3:1:	3:4:	C[6]-4:O-2:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:	N(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H)	O(NC[6]H)(CH3)	N(C[6]C[6]2H)(OC)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NHO)(H){1|C<4>,1|H<1>,1|O<2>}	O(NC[6]H)(CH3)	106.5040	0.000	1	106.5040	0.000	1	106.5040	0.000	1	106.2395	0.140	2	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C-3:O-2:	C[6]-3:C[6]-4:N-3:H-1:	N-3:H-1:	N(C[6]C[6]2H)(COO)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H)	O(NC[6]C)(H)	N(C[6]C[6]2H)(COO)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H){2|C<3>,2|H<1>}	O(NC[6]C)(H)	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	108.8020	36.654	2	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:3:2:	3:4:3:1:	3:1:	C[6]-4:C[6a]-3:O-2:	C[5a,6]-3:C[6]-4:N-3:H-1:	N-3:H-1:	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H)	O(NC[6a]C[6])(H)	N(C[6]C[5a,6]C[6]H)(C[6a]C[6a]2)(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(NC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	O(NC[6a]C[6])(H)	104.5210	0.000	1	104.5210	0.000	1	104.5210	0.000	1	108.8020	36.654	2	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:3:2:	4:3:3:1:	3:4:	C[6]-4:C-3:O-2:	C[6]-4:N[6]-3:N-3:H-1:	N-3:C-4:	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	O(NC[6]C)(CH3)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	O(NC[6]C)(CH3)	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	107.9860	0.000	1	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:3:2:	4:4:3:1:	3:4:	C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:	N(C[6]C[6]2H)(CC[6a]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	O(NC[6]C)(CH3)	N(C[6]C[6]2H)(CC[6a]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	O(NC[6]C)(CH3)	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	106.1420	0.000	1	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:4:2:	3:3:3:1:	3:4:	C[6]-4:C-4:O-2:	C[5a,6]-3:C[6]-3:N-3:H-1:	N-3:C-4:	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H)	O(NC[6]C)(CH3)	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]O)(NCO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(NC[6]C)(CH3)	104.2940	0.000	1	104.2940	0.000	1	104.2940	0.000	1	104.2940	0.000	1	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:4:2:	4:2:3:1:	3:1:	C[6]-4:C-4:O-2:	C[5,6]-4:O[6]-2:N-3:H-1:	N-3:H-1:	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H)	O(NC[6]C)(H)	N(C[6]C[5,6]O[6]H)(CC[6a]HH)(OH)	C[6](C[5,6]C[5,6]O[5]H)(O[6]N[6])(NCO)(H){1|H<1>,1|O<2>,3|C<4>}	O(NC[6]C)(H)	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	110.1440	0.000	1	106.8645	4.739	16	106.8259	4.480	18
956	466	893	0:SP3_SP3_SP3	N	C[6]	O	4:4:2:	4:2:3:1:	3:4:	C[6]-4:C-4:O-2:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:	N(C[6]C[6]O[6]H)(CCHH)(OC)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H)	O(NC[6]C)(CH3)	N(C[6]C[6]O[6]H)(CCHH)(OC)	C[6](C[6]C[6]HN)(O[6]C[6])(NCO)(H){1|O<2>,2|C<4>,2|H<1>}	O(NC[6]C)(CH3)	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	108.2440	0.000	1	106.8645	4.739	16	106.8259	4.480	18
956	466	902	0:SP2_SP2_SP3	N	C[6]	C[3]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[3]-3:	C[6]-4:C[6]-4:N-3:H-1:	C[3]-3:C[3]-3:N-3:	N(C[6]C[6]2H)2(C[3]C[3]2)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H)	C[3](C[3]C[3]N)2(NC[6]2)	N(C[6]C[6]2H)2(C[3]C[3]2)	C[6](C[6]C[6]HH)2(NC[3]C[6])(H){1|C<4>,4|H<1>}	C[3](C[3]C[3]N)2(NC[6]2)	119.3665	2.592	8	119.3665	6.717	8	119.3665	6.717	8	119.3665	6.717	8	119.3665	6.717	8	119.3665	6.717	8
956	466	909	0:SP2_SP2_SP3	N	C[6]	S	4:2:1:	4:2:3:1:	3:3:	C[6]-4:S-2:H-1:	C[6]-4:O[6]-2:N-3:H-1:	C[6a]-3:N-3:	N(C[6]C[6]O[6]H)(SC[6a])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H)	S(C[6a]C[6a]2)(NC[6]H)	N(C[6]C[6]O[6]H)(SC[6a])(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NHS)(H){1|O<2>,2|C<4>,2|H<1>}	S(C[6a]C[6a]2)(NC[6]H)	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1	120.0730	0.000	1
956	466	917	0:SP2_SP3_SP3	N	C[3x6]	P[4]	4:4:1:	4:4:4:3:	3:3:3:1:	C[3x6]-4:P[4]-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N[4]-3:N[4]-3:N-3:Se-1:	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)(H)	C[3x6](C[6,6]C[3x6]HH)3(NP[4]H)	P[4](N[4]P[4]C)2(NC[3x6]H)(Se)	N(C[3x6]C[6,6]3)(P[4]N[4]2Se)(H)	C[3x6](C[6,6]C[3x6]HH)3(NP[4]H){3|C<4>,3|H<1>}	P[4](N[4]P[4]C)2(NC[3x6]H)(Se){1|Se<1>,1|N<2>}	134.4000	0.000	1	134.4000	0.000	1	134.4000	0.000	1	134.4000	0.000	1	134.4000	0.000	1	134.4000	0.000	1
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	3:3:3:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	N(C[3x6]C[6,6,6a]3)(CC[6a]O)(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(NCH){1|C<4>,3|H<1>,6|C<3>}	C(C[6a]C[6a]N[6a])(NC[3x6]H)(O)	124.6930	2.069	10	124.6930	4.279	10	124.6930	4.279	10	124.6930	4.279	10	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[5a]-3:N-3:O-1:	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	N(C[3x6]C[6,6]3)(CC[5a]O)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C(C[5a]C[5a]O[5a])(NC[3x6]H)(O)	119.6400	0.000	1	119.6400	0.000	1	119.6400	0.000	1	120.5685	2.021	6	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]HO)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[3x6]H)(O)	119.8580	0.180	2	119.8580	0.032	2	120.7542	2.268	5	120.5685	2.021	6	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-3:C[6,6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[6,6]N[5]H)(C[6,6]C[6,6]H)(C[6,6]O[6,6]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[3x6]H)(O)	121.3517	1.784	3	121.3517	3.181	3	120.7542	2.268	5	120.5685	2.021	6	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	N(C[3x6]C[5,6,6]2C[6,6])(CC[6a]O)(H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)2(C[6,6]C[3x6]H)(NCH){2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C(C[6a]C[6a]2)(NC[3x6]H)(O)	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:2:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:O-2:O-1:	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(NC[3x6]H)(OC)(O)	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(NC[3x6]H)(OC)(O)	126.3090	0.000	1	126.3090	0.000	1	127.3098	7.970	4	127.3098	7.970	4	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:2:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:O-2:O-1:	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	C(NC[3x6]H)(OC)(O)	N(C[3x6]C[6,6]3)(COO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	C(NC[3x6]H)(OC)(O)	127.6433	3.360	3	127.6433	11.288	3	127.3098	7.970	4	127.3098	7.970	4	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[5]-3:N-3:O-1:	N(C[3x6]C[6,6]3)(CC[5]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[5]C[5]2)(NC[3x6]H)(O)	N(C[3x6]C[6,6]3)(CC[5]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[5]C[5]2)(NC[3x6]H)(O)	127.8710	0.000	1	127.8710	0.000	1	127.8710	0.000	1	125.9954	3.997	16	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6]-3:N-3:H-1:	N(C[3x6]C[6,6]3)(CC[6]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6]C[6]2)(NC[3x6]H)(H)	N(C[3x6]C[6,6]3)(CC[6]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6]C[6]2)(NC[3x6]H)(H)	126.3570	0.000	1	126.3570	0.000	1	126.3570	0.000	1	125.9954	3.997	16	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6]-3:N-3:O-1:	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6]C[6]2)(NC[3x6]H)(O)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6]C[6]2)(NC[3x6]H)(O)	124.9595	0.195	4	124.9595	0.038	4	124.9595	0.038	4	125.9954	3.997	16	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N-3:H-1:	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	N(C[3x6]C[6,6]3)(CC[6a]H)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(NC[3x6]H)(H)	124.9720	0.000	1	124.9720	0.000	1	124.9720	0.000	1	125.9954	3.997	16	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N-3:O-1:	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6a]C[6a]2)(NC[3x6]H)(O)	N(C[3x6]C[6,6]3)(CC[6a]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[3x6]H)(O)	127.2570	0.536	2	127.2570	0.287	2	127.2570	0.287	2	125.9954	3.997	16	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:N-3:O-1:	N(C[3x6]C[6,6]3)(CNO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH)	C(NC[3x6]H)(NCH)(O)	N(C[3x6]C[6,6]3)(CNO)(H)	C[3x6](C[6,6]C[6,6]HH)2(C[6,6]C[6,6]HN)(NCH){1|C<4>,6|H<1>}	C(NC[3x6]H)(NCH)(O)	125.1690	1.703	6	125.1690	2.901	6	125.1690	2.901	6	125.9954	3.997	16	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:N-3:S-1:	N(C[3x6]C[6,6]3)(CNS)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(NC[3x6]H)(NC[6a]H)(S)	N(C[3x6]C[6,6]3)(CNS)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(NC[3x6]H)(NC[6a]H)(S)	131.3600	0.000	1	131.3600	0.000	1	131.3600	0.000	1	125.9954	3.997	16	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:2:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6]-3:N-3:O-2:	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	131.6080	0.000	1	131.6080	0.000	1	131.6080	0.000	1	128.8425	15.296	2	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:2:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6a]-3:N-3:N-2:	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	N(C[3x6]C[6,6]3)(CC[6a]N)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(NC[3x6]H)(NC)	126.0770	0.000	1	126.0770	0.000	1	126.0770	0.000	1	128.8425	15.296	2	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:O-1:	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH)	C(NC[3x6]H)(CH3)(O)	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]CC)(C[6,6]C[3x6]HH)2(NCH){1|N<3>,2|H<1>,3|C<4>}	C(NC[3x6]H)(CH3)(O)	125.0450	0.000	1	125.0450	0.000	1	125.8002	0.789	11	125.8002	0.789	11	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:O-1:	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(NC[3x6]H)(CClHH)(O)	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(NC[3x6]H)(CClHH)(O)	125.7980	0.000	1	125.7980	0.000	1	125.8002	0.789	11	125.8002	0.789	11	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:O-1:	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(NC[3x6]H)(CH3)(O)	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){1|C<3>,2|H<1>,3|C<4>}	C(NC[3x6]H)(CH3)(O)	126.4560	0.051	2	125.9320	0.659	7	125.8002	0.789	11	125.8002	0.789	11	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:O-1:	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(NC[3x6]H)(CH3)(O)	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(NC[3x6]H)(CH3)(O)	125.7224	0.892	5	125.9320	0.659	7	125.8002	0.789	11	125.8002	0.789	11	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:O-1:	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH)	C(NC[3x6]H)(CCHN)(O)	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[6,6]CH)(C[6,6]C[6,6]HH)2(NCH){1|C<4>,6|H<1>}	C(NC[3x6]H)(CCHN)(O)	125.7175	1.797	2	125.7175	3.228	2	125.8002	0.789	11	125.8002	0.789	11	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:4:2:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-4:O-2:	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(NC[3x6]H)(CH3)(OH)	N(C[3x6]C[6,6]3)(CCO)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(NC[3x6]H)(CH3)(OH)	127.5730	0.000	1	127.5730	0.000	1	127.5730	0.000	1	127.5730	0.000	1	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:3:	4:4:4:3:	3:1:1:	C[3x6]-4:C-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:H-1:O-1:	N(C[3x6]C[6,6]3)(CCH)(CHO)	C[3x6](C[6,6]C[3x6]HH)3(NCC)	C(NC[3x6]C)(H)(O)	N(C[3x6]C[6,6]3)(CCH)(CHO)	C[3x6](C[6,6]C[3x6]HH)3(NCC){3|C<4>,3|H<1>}	C(NC[3x6]C)(H)(O)	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	121.8540	0.000	1	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:B-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-3:O-1:	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(NBC)	C(NC[3x6]B)(CC[6a]C)(O)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	C[3x6](C[6,6]C[3x6]HH)3(NBC){3|C<4>,3|H<1>}	C(NC[3x6]B)(CC[6a]C)(O)	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	121.4170	32.143	3	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:B-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-3:S-1:	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	C[3x6](C[6,6]C[3x6]HH)3(NBC)	C(NC[3x6]B)(CC[6a]C)(S)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	C[3x6](C[6,6]C[3x6]HH)3(NBC){3|C<4>,3|H<1>}	C(NC[3x6]B)(CC[6a]C)(S)	127.1980	0.000	1	127.1980	0.000	1	127.1980	0.000	1	121.4170	32.143	3	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[3x6]	C	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C-3:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	N-3:C-3:H-1:	N(C[3x6]C[6,6]3)(CCH)(CHO)	C[3x6](C[6,6]C[3x6]HH)3(NCC)	C(NC[3x6]C)(CHN)(H)	N(C[3x6]C[6,6]3)(CCH)(CHO)	C[3x6](C[6,6]C[3x6]HH)3(NCC){3|C<4>,3|H<1>}	C(NC[3x6]C)(CHN)(H)	115.8660	0.000	1	115.8660	0.000	1	115.8660	0.000	1	121.4170	32.143	3	124.9914	8.682	55	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	3:3:3:3:	3:2:1:	C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH)	C(NC[6,6]H)(OC)(O)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(NC[6,6]H)(OC)(O)	123.4550	0.000	1	123.4550	0.000	1	123.4550	0.000	1	123.4550	0.000	1	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	3:4:2:3:	3:4:1:	C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	N-3:C-4:O-1:	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C(NC[6,6]H)(CH3)(O)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<2>,1|S<2>,4|C<3>,4|H<1>}	C(NC[6,6]H)(CH3)(O)	124.3470	0.000	1	126.8100	7.839	3	126.8100	7.839	3	126.8100	7.839	3	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	3:4:2:3:	3:4:1:	C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:O[6]-2:N-3:	N-3:C-4:O-1:	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH)	C(NC[6,6]H)(CH3)(O)	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(NCH){1|C<4>,4|H<1>,5|C<3>}	C(NC[6,6]H)(CH3)(O)	128.0415	2.565	2	126.8100	7.839	3	126.8100	7.839	3	126.8100	7.839	3	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	3:4:3:3:	3:2:1:	C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH)	C(NC[6,6]H)(OC)(O)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(NC[6,6]H)(OC)(O)	124.3585	0.135	2	124.3585	0.018	2	125.1627	1.949	3	125.1627	1.949	3	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	3:4:3:3:	3:2:1:	C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:N-3:	N-3:O-2:O-1:	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH)	C(NC[6,6]H)(OC)(O)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]H)(NCH){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(NC[6,6]H)(OC)(O)	126.7710	0.000	1	126.7710	0.000	1	125.1627	1.949	3	125.1627	1.949	3	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	3:4:4:3:	3:2:1:	C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-4:N-3:	N-3:O-2:O-1:	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH)	C(NC[6,6]H)(OC)(O)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CO)(C[6]C[6]HH)(NCH){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C(NC[6,6]H)(OC)(O)	126.3140	0.000	1	126.3140	0.000	1	126.3140	0.000	1	126.3140	0.000	1	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6,6]C[6,6]2H)(COO)(H)	C[6,6](C[6,6]C[6]2H)2(NCH)(H)	C(NC[6,6]H)(OC)(O)	N(C[6,6]C[6,6]2H)(COO)(H)	C[6,6](C[6,6]C[6]2H)2(NCH)(H){1|N<3>,1|S<4>,8|H<1>}	C(NC[6,6]H)(OC)(O)	121.1210	0.000	1	121.1210	0.000	1	121.1210	0.000	1	121.1210	0.000	1	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H)	C(NC[6,6]H)(NCH)(O)	N(C[6,6]C[3x6]C[6,6]H)(CNO)(H)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(NCH)(H){2|C<4>,5|H<1>}	C(NC[6,6]H)(NCH)(O)	122.3580	1.066	6	122.3580	1.137	6	122.3580	1.137	6	122.3580	1.137	6	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6,6]C[3x6]2H)(CCO)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H)	C(NC[6,6]H)(CCHH)(O)	N(C[6,6]C[3x6]2H)(CCO)(H)	C[6,6](C[3x6]C[6,6]2H)2(NCH)(H){2|C<4>,8|H<1>}	C(NC[6,6]H)(CCHH)(O)	123.3120	0.000	1	123.3120	0.000	1	123.3120	0.000	1	122.3273	1.575	3	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H)	C(NC[6,6]H)(CC[6a]3)(O)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]HN)(NCH)(H){1|H<1>,4|C<3>}	C(NC[6,6]H)(CC[6a]3)(O)	121.8350	1.302	2	121.8350	1.696	2	121.8350	1.696	2	122.3273	1.575	3	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:3:3:	3:1:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	N-3:H-1:O-1:	N(C[6,6]C[3x6]2C)(CHO)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	C(NC[6,6]H)(H)(O)	N(C[6,6]C[3x6]2C)(CHO)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	C(NC[6,6]H)(H)(O)	124.2750	1.406	4	124.2750	1.978	4	124.2750	1.978	4	124.2750	1.978	4	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[6,6]-4:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH)	C(C[6a]C[6a]2)(NC[6,6]H)(O)	N(C[6,6]C[3x6]C[6,6]C)(CC[6a]O)(H)	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(COO)(NCH){2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(NC[6,6]H)(O)	119.6680	0.000	1	119.6680	0.000	1	119.6680	0.000	1	119.6680	0.000	1	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:3:3:	4:3:1:	C[6,6]-4:C-3:H-1:	C[3x6]-4:C[3x6]-4:C-3:N-3:	C[6,6]-4:N-3:O-1:	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH)	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	N(C[6,6]C[3x6]2C)(CC[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2H)2(CNO)(NCH){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2N)(NC[6,6]H)(O)	123.5730	2.328	8	123.5730	5.422	8	123.5730	5.422	8	123.5730	5.422	8	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:4:3:	3:2:1:	C[6,6]-4:C-3:H-1:	C[4,6,6]-4:C[6,6]-4:C-4:N-3:	N-3:O-2:O-1:	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH)	C(NC[6,6]H)(OC)(O)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C[6,6](C[4,6,6]C[4,6]2H)(C[6,6]C[6,6]HH)(CCHH)(NCH){3|C<4>,4|H<1>}	C(NC[6,6]H)(OC)(O)	123.6340	0.000	1	123.6340	0.000	1	123.6340	0.000	1	123.6340	0.000	1	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	N-3:C-4:O-1:	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH)	C(NC[6,6]H)(CH3)(O)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]HO)(NCH){1|O<2>,3|C<4>,6|H<1>}	C(NC[6,6]H)(CH3)(O)	127.8460	0.000	1	127.8460	0.000	1	126.4585	3.850	2	126.4585	3.850	2	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[6,6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C[6]-4:N-3:	N-3:C-4:O-1:	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH)	C(NC[6,6]H)(CH3)(O)	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)2(NCH){1|N<3>,3|C<4>,6|H<1>}	C(NC[6,6]H)(CH3)(O)	125.0710	0.000	1	125.0710	0.000	1	126.4585	3.850	2	126.4585	3.850	2	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:3:4:	4:4:3:1:	3:3:1:	C[6,6]-4:C-3:C-4:	C[3x6]-4:C[3x6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6,6]C)(O)	N(C[6,6]C[3x6]2H)(CC[6a]O)(CCHH)	C[6,6](C[3x6]C[6,6]2H)2(NCC)(H){2|C<4>,8|H<1>}	C(C[6a]C[6a]2)(NC[6,6]C)(O)	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	117.7060	0.000	1	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[5]-4:C-3:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:N-3:H-1:	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	C(NC[6,6]C[5])(NC[5]C)(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	C(NC[6,6]C[5])(NC[5]C)(H)	121.0200	0.000	1	121.0200	0.000	1	120.7980	0.099	2	120.7980	0.099	2	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6,6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[5]-4:C-3:	C[3x6]-4:C[3x6]-4:N-3:H-1:	N-3:N-3:H-1:	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H)	C(NC[6,6]C[5])2(H)	N(C[6,6]C[3x6]2H)(C[5]C[5]2Fe)(CHN)	C[6,6](C[3x6]C[6,6]2H)2(NC[5]C)(H){2|C<4>,8|H<1>}	C(NC[6,6]C[5])2(H)	120.5760	0.000	1	120.5760	0.000	1	120.7980	0.099	2	120.7980	0.099	2	123.4904	6.271	37	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:1:	4:4:3:1:	5:3:3:	C-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[3x3,3x5,12x6]-5:N-3:N-3:	N(CC[3x3,3x5,12x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(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)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(NC[6]H)2	127.7000	0.458	2	127.7000	0.210	2	127.7000	0.210	2	129.1690	6.579	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:1:	4:4:3:1:	5:3:3:	C-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[3x3,4,3x5,14x6]-5:N-3:N-3:	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6]Ni)(NC[6]H)	N(CC[3x3,4,3x5,14x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NC[6]Ni)(NC[6]H)	132.1070	0.000	1	132.1070	0.000	1	132.1070	0.000	1	129.1690	6.579	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:1:	4:4:3:1:	6:3:3:	C-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Ni)(NC[6]H)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Ni)(NC[6]H)	130.9840	0.000	1	130.9840	0.000	1	130.2700	0.448	3	130.2700	0.448	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:1:	4:4:3:1:	6:3:3:	C-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5x3,5x5,20x6]-6:N-3:N-3:	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Sn)(NC[6]H)	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]Sn)(NC[6]H)	129.9130	0.363	2	129.9130	0.132	2	130.2700	0.448	3	130.2700	0.448	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:3:3:1:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H)	C(NC[6a]C[6])(CH3)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]C)(H){1|C<4>,3|H<1>}	C(NC[6a]C[6])(CH3)(O)	117.8686	1.017	5	117.8686	1.035	5	117.8686	1.035	5	117.8686	1.035	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]O)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NC[6a]C)(H){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(NC[6a]C[6])(O)	116.2040	0.000	1	116.2040	0.000	1	116.2040	0.000	1	116.7494	0.409	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C(NC[6a]C[6])(CCH)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C(NC[6a]C[6])(CCH)(O)	117.2240	0.000	1	117.2240	0.000	1	116.8858	0.422	4	116.7494	0.409	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(CCC)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(NC[6a]C[6])(CCC)(O)	116.3425	0.035	2	116.3425	0.001	2	116.8858	0.422	4	116.7494	0.409	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:4:3:1:	3:3:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(CC[6a]O)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|C<4>,4|H<1>}	C(NC[6a]C[6])(CC[6a]O)(O)	117.6340	0.000	1	117.6340	0.000	1	116.8858	0.422	4	116.7494	0.409	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H)	C(NC[6a]C[6])(CCHH)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NC[6a]C)(H){1|N<3>,4|H<1>}	C(NC[6a]C[6])(CCHH)(O)	117.1080	0.006	2	117.1080	0.000	2	118.3492	0.889	9	118.3492	0.889	9	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(CCHH)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<3>,4|H<1>}	C(NC[6a]C[6])(CCHH)(O)	118.3515	0.408	2	118.7039	0.525	7	118.3492	0.889	9	118.3492	0.889	9	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	3:4:3:	4:4:3:1:	3:4:1:	C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H)	C(NC[6a]C[6])(CCHH)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C[6](C[6]C[6]HH)2(NC[6a]C)(H){1|N<4>,4|H<1>}	C(NC[6a]C[6])(CCHH)(O)	118.8448	0.812	5	118.7039	0.525	7	118.3492	0.889	9	118.3492	0.889	9	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	2:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	O[6]-2:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	C(NC[6]H)(CH3)(O)	123.3300	0.000	1	123.3300	0.000	1	123.3300	0.000	1	123.3300	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:2:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-3:N[6]-2:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]N[6]H)(COO)(H)	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]N[6]H)(COO)(H)	C[6](C[6]C[6]H)(N[6]N[6])(NCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(NC[6]H)(OC)(O)	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	119.6840	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C(NC[6]H)(OC)(O)	123.1180	0.000	1	123.1180	0.000	1	123.1180	0.000	1	121.9570	2.342	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	N[6]-3:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(NC[6]H)(OC)(O)	122.5300	0.000	1	122.5300	0.000	1	121.3765	2.661	2	121.9570	2.342	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	N[6]-3:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]N[6]H)(COO)(H)	C[6](N[6]C[6a]O[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(NC[6]H)(OC)(O)	120.2230	0.000	1	120.2230	0.000	1	121.3765	2.661	2	121.9570	2.342	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	121.8570	3.459	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6,6a]N[6]H)(CC[6a]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	119.7290	0.000	1	119.7290	0.000	1	119.7290	0.000	1	121.8570	3.459	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6,6a]N[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	C(NC[6]H)(NHH)(O)	N(C[6]C[6,6a]N[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(NC[6]H)(NHH)(O)	122.6710	0.000	1	122.6710	0.000	1	122.6710	0.000	1	121.8570	3.459	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	N-3:C-3:O-2:	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C(NC[6]H)(CCH)(OH)	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C(NC[6]H)(CCH)(OH)	126.2875	2.133	2	126.2875	4.551	2	126.2875	4.551	2	126.2875	4.551	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C(NC[6]H)(CCHH)(O)	124.1180	0.000	1	124.1180	0.000	1	124.1180	0.000	1	123.4430	0.911	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:N[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C(NC[6]H)(CH3)(O)	122.7680	0.000	1	122.7680	0.000	1	122.7680	0.000	1	123.4430	0.911	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:4:2:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	N-3:C-4:O-2:	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C(NC[6]H)(CCHH)(OH)	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C(NC[6]H)(CCHH)(OH)	124.5200	0.174	2	124.5200	0.030	2	124.2770	0.192	3	124.2770	0.192	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	3:4:2:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	N-3:C-4:O-2:	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C(NC[6]H)(CH3)(OH)	N(C[6]C[6,6a]2H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C(NC[6]H)(CH3)(OH)	123.7910	0.000	1	123.7910	0.000	1	124.2770	0.192	3	124.2770	0.192	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[5,6]-4:N-3:O-1:	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6]H)(O)	N(C[6]C[6,6a]2H)(CC[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C(C[5,6]C[5,5,6]C[5,6]H)(NC[6]H)(O)	123.1550	0.000	1	123.1550	0.000	1	123.1550	0.000	1	123.1550	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:4:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]O)(CCCH)(NCH){1|C<4>,2|C<3>}	C(NC[6]H)(OC)(O)	117.6150	0.201	2	117.6150	0.040	2	117.6150	0.040	2	117.6150	0.040	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:3:4:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-3:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]H)2(CCHH)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]H)2(CCHH)(NCH){1|C<3>,2|H<1>}	C(NC[6]H)(CH3)(O)	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	N-3:H-1:O-1:	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(H)(O)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(NC[6]H)(H)(O)	123.7560	0.000	1	123.7560	0.000	1	123.7560	0.000	1	123.7560	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	C(NC[6]H)(OC)(O)	119.1540	0.284	2	119.1540	0.081	2	121.0006	4.657	5	120.6701	4.348	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	C(NC[6]H)(OC)(O)	123.8290	0.000	1	123.8290	0.000	1	121.0006	4.657	5	120.6701	4.348	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	C(NC[6]H)(OC)(O)	122.7280	0.000	1	122.7280	0.000	1	121.0006	4.657	5	120.6701	4.348	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	C(NC[6]H)(OC)(O)	120.1380	0.000	1	120.1380	0.000	1	121.0006	4.657	5	120.6701	4.348	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C(NC[6]H)(OC)(O)	121.5100	0.000	1	121.5100	0.000	1	119.8440	5.551	2	120.6701	4.348	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]N[6,6a]O)(C[6]O[6]HH)(NCH)(H){1|B<3>,1|N<2>}	C(NC[6]H)(OC)(O)	118.1780	0.000	1	118.1780	0.000	1	119.8440	5.551	2	120.6701	4.348	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-3:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(NCH)(H){3|H<1>,4|C<4>}	C(C[6a]C[6a]2)(NC[6]H)(O)	121.7705	0.446	2	121.7705	0.199	2	121.7705	0.199	2	122.7110	1.404	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C-3:N-3:H-1:	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C(CC[6]C)(NC[6]H)(H)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(CC[6]C)(NC[6]H)(H)	121.9060	0.000	1	121.9060	0.000	1	123.1245	2.969	2	122.7110	1.404	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	C-3:N-3:H-1:	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C(CC[6a]C)(NC[6]H)(H)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(CC[6a]C)(NC[6]H)(H)	124.3430	0.000	1	124.3430	0.000	1	123.1245	2.969	2	122.7110	1.404	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)2(O)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]H)2(O)	123.3200	0.431	3	123.3200	0.186	3	123.3200	0.186	3	122.7110	1.404	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]N)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.7890	0.000	1	123.7890	0.000	1	122.5178	2.375	4	122.7110	1.404	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	121.1905	0.268	2	121.1905	0.072	2	122.5178	2.375	4	122.7110	1.404	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[6,6a]N)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.9010	0.000	1	123.9010	0.000	1	122.5178	2.375	4	122.7110	1.404	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CC3)(O)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(NCH)(H){3|C<4>,4|H<1>}	C(NC[6]H)(CC3)(O)	123.1055	0.364	2	123.1055	0.133	2	123.1055	0.133	2	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5a,6]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C(NC[6]H)(CH3)(O)	121.4450	0.000	1	121.4450	0.000	1	121.4450	0.000	1	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCl3)(O)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(NC[6]H)(CCl3)(O)	118.9560	0.000	1	118.9560	0.000	1	122.2312	2.866	6	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C(NC[6]H)(CHHO)(O)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C(NC[6]H)(CHHO)(O)	123.3315	0.037	2	123.3315	0.001	2	122.2312	2.866	6	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	C(NC[6]H)(CH3)(O)	121.8960	0.000	1	121.8960	0.000	1	122.2312	2.866	6	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]H)(CH3)(O)	123.1300	0.000	1	123.1300	0.000	1	122.2312	2.866	6	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(NC[6]H)(CH3)(O)	122.7420	0.000	1	122.7420	0.000	1	122.2312	2.866	6	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(NC[6]H)(CH3)(O)	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	122.2687	1.882	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-3:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H)	C(CC[6a]HH)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(NCH)(H){2|C<4>,2|H<1>}	C(CC[6a]HH)(NC[6]H)(O)	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]O[6]H)(COO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]O[6]H)(COO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(OC)(O)	122.0070	0.000	1	122.0070	0.000	1	122.0070	0.000	1	123.1460	2.595	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:O-2:S-1:	N(C[6]C[6]O[6]H)(COS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(OC)(S)	N(C[6]C[6]O[6]H)(COS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(OC)(S)	124.2850	0.000	1	124.2850	0.000	1	124.2850	0.000	1	123.1460	2.595	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]O[6]H)(CNO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(NHH)(O)	N(C[6]C[6]O[6]H)(CNO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(NHH)(O)	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	124.0948	4.418	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(NHH)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(NHH)(S)	123.9430	0.000	1	123.9430	0.000	1	124.7930	1.867	5	124.0948	4.418	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|C<4>,1|O<2>,3|H<1>}	C(NC[6]H)(NHN)(S)	125.0870	2.341	2	125.0055	2.188	4	124.7930	1.867	5	124.0948	4.418	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]O[6]H)(CNS)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(NHN)(S)	124.9240	1.030	2	125.0055	2.188	4	124.7930	1.867	5	124.0948	4.418	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(O)	121.8650	0.000	1	121.8392	0.372	5	122.3946	1.330	10	122.3946	1.330	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]ClH)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(CH3)(O)	121.8328	0.704	4	121.8392	0.372	5	122.3946	1.330	10	122.3946	1.330	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H)	C(NC[6]H)(CClHH)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HN)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(CClHH)(O)	120.8520	0.000	1	120.8520	0.000	1	122.3946	1.330	10	122.3946	1.330	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H)	C(NC[6]H)(CCHN)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6,6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(CCHN)(O)	124.4930	0.000	1	124.4930	0.000	1	122.3946	1.330	10	122.3946	1.330	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(CClCH)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(CClCH)(O)	123.2530	0.000	1	123.2530	0.000	1	122.3946	1.330	10	122.3946	1.330	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(CClHH)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(CClHH)(O)	123.5730	0.000	1	123.5730	0.000	1	122.3946	1.330	10	122.3946	1.330	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]O[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(O[6]C[6])(NCH)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]H)(CH3)(O)	122.5790	0.000	1	122.5790	0.000	1	122.3946	1.330	10	122.3946	1.330	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:2:4:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:O[6]-2:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]O[6]C)(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]O[6]C)(COO)(H)	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(NCH){1|C<4>,4|H<1>}	C(NC[6]H)(OC)(O)	128.9045	0.136	4	128.9045	0.018	4	128.9045	0.018	4	128.9045	0.018	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(NCH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(NC[6]H)(OC)(O)	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]H)(OC)(O)	121.9195	0.431	2	121.9195	0.185	2	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NCH)(H){1|C<4>,3|H<1>}	C(NC[6]H)(OC)(O)	123.5700	0.000	1	123.5700	0.000	1	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C(NC[6]H)(OC)(O)	118.9755	0.893	2	119.7184	1.259	5	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,1|O<1>}	C(NC[6]H)(OC)(O)	121.2830	0.000	1	119.7184	1.259	5	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|N<3>,2|H<1>}	C(NC[6]H)(OC)(O)	119.0940	0.000	1	119.7184	1.259	5	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(NC[6]H)(OC)(O)	120.2640	0.000	1	119.7184	1.259	5	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|C<4>,2|H<1>}	C(NC[6]H)(OC)(O)	120.9050	0.000	1	119.3330	4.942	2	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|N<2>,2|C<4>}	C(NC[6]H)(OC)(O)	117.7610	0.000	1	119.3330	4.942	2	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(NC[6]H)(OC)(O)	122.0740	0.000	1	122.0740	0.000	1	120.6128	3.174	11	120.6123	2.885	12	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]N[6]O)(NCH)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.3550	0.000	1	123.3550	0.000	1	121.6736	2.064	7	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5a,6]C[6a]H)(C[6]S[6]O)(NCH)(H){4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	119.8870	0.000	1	119.8870	0.000	1	121.6736	2.064	7	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	120.1260	0.000	1	120.1260	0.000	1	121.6736	2.064	7	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(NCH)(H){5|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.1960	0.000	1	122.1960	0.000	1	121.6736	2.064	7	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(NCH)(H){4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	121.4450	0.000	1	121.4450	0.000	1	121.6736	2.064	7	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]O[6]O)(NCH)(H){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(NC[6]H)(O)	121.1870	0.000	1	121.1870	0.000	1	121.6736	2.064	7	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(NCH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.5190	0.000	1	123.5190	0.000	1	121.6736	2.064	7	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H)	C(NC[6]H)(CHH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(NC[6]H)(CHH)(O)	121.3520	0.000	1	121.3520	0.000	1	121.3520	0.000	1	121.6334	1.782	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(NC[6]H)(CH3)(O)	122.7650	0.000	1	122.7650	0.000	1	122.8475	0.014	2	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C(NC[6]H)(CH3)(O)	122.9300	0.000	1	122.9300	0.000	1	122.8475	0.014	2	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NCH)(H){1|H<1>,3|C<4>}	C(NC[6]H)(CH3)(O)	121.5140	0.000	1	121.5140	0.000	1	121.2436	3.193	12	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H)	C(NC[6]H)(CF3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5]C[6]H)(C[6]O[6]O)(NCH)(H){1|Fe<10>,2|H<1>,3|C<4>}	C(NC[6]H)(CF3)(O)	121.2890	0.000	1	121.2890	0.000	1	121.2436	3.193	12	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H)	C(NC[6]H)(CF3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)(H){1|C<4>,3|H<1>}	C(NC[6]H)(CF3)(O)	118.2100	0.741	2	118.2100	0.549	2	121.2436	3.193	12	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]C)(NCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]H)(CH3)(O)	122.5165	1.698	2	122.5165	2.882	2	121.2436	3.193	12	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(NCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(NC[6]H)(CH3)(O)	122.7930	0.525	3	122.7930	0.276	3	121.2436	3.193	12	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HO)(C[6]C[6]N)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CH3)(O)	119.8040	0.000	1	119.8040	0.000	1	121.2436	3.193	12	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]S[6]HH)(C[6]N[6]O)(NCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(NC[6]H)(CH3)(O)	121.2420	0.375	2	121.2420	0.140	2	121.2436	3.193	12	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]N[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	C(NC[6]H)(CCCH)(O)	N(C[6]C[6]N[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(NC[6]H)(CCCH)(O)	122.6500	0.000	1	122.6500	0.000	1	123.4605	1.314	2	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]N[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]N[6]H)(CCO)(H)	C[6](C[6]C[6]HO)(N[6]C[6]C)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(NC[6]H)(CH3)(O)	124.2710	0.000	1	124.2710	0.000	1	123.4605	1.314	2	121.7212	3.185	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:2:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:N-3:O-2:	N-3:O-2:O-1:	N(C[6]C[6]2O)(COO)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2O)(COO)(H)	C[6](C[6]S[6]HH)(C[6]C[6]O)(NCH)(ON){1|C<4>,2|H<1>}	C(NC[6]H)(OC)(O)	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]N[6]O)(COO)(NCH){1|S<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.6480	0.830	2	122.6480	0.689	2	122.6480	0.689	2	122.7614	3.024	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]O[6]O)(NCH){2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	121.4715	0.421	2	121.4715	0.177	2	122.8370	5.682	3	122.7614	3.024	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6a]C[6]2)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|S<4>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	125.5680	0.000	1	125.5680	0.000	1	122.8370	5.682	3	122.7614	3.024	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH)	C(NC[6]H)(CF3)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(COO)(NCH){1|C<3>,3|H<1>}	C(NC[6]H)(CF3)(O)	121.0690	0.000	1	121.0690	0.000	1	121.0690	0.000	1	124.2013	7.416	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6a]C[6]2)(CCO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH)	C(NC[6]H)(CHHN)(O)	N(C[6]C[6a]C[6]2)(CCO)(H)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NCH){1|C<4>,3|H<1>,5|C<3>}	C(NC[6]H)(CHHN)(O)	125.5280	0.000	1	125.5280	0.000	1	125.5280	0.000	1	124.2013	7.416	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:N[6]-3:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]N[6]C)(CCO)(H)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]N[6]C)(CCO)(H)	C[6](C[6]C[6]HH)(N[6]N[6]C)(COO)(NCH){1|H<1>,2|C<3>}	C(NC[6]H)(CH3)(O)	126.0070	0.000	1	126.0070	0.000	1	126.0070	0.000	1	124.2013	7.416	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6a]O[6]H)(C[6]N[6]O)(CH3)(NCH){1|C<4>,3|C<3>}	C(NC[6]H)(OC)(O)	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	121.4410	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.3990	0.000	1	123.3990	0.000	1	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]CH)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.6685	0.589	2	122.6685	0.347	2	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CCHH)(NCH){4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.5180	0.000	1	124.5180	0.000	1	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(CC[6a]HH)(NCH){4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.4090	0.000	1	124.4090	0.000	1	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HN)(C[6]O[6]O)(CC[6a]HH)(NCH){2|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	125.6035	1.097	2	125.6035	1.203	2	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(CH3)(NCH){2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	120.8360	0.000	1	120.8360	0.000	1	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(CC[6a]HH)(NCH){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.6490	0.000	1	123.6490	0.000	1	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]N[5,6]O)(CC[6a]HH)(NCH){4|C<3>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.3160	0.000	1	122.3160	0.000	1	123.5671	2.459	10	123.5671	2.459	10	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:H-1:O-1:	N(C[6]C[5,6]C[6]H)(CHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H)	C(NC[6]H)(H)(O)	N(C[6]C[5,6]C[6]H)(CHO)(H)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]CC)(NCH)(H){1|Cl<1>,1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(NC[6]H)(H)(O)	123.2350	0.000	1	123.2350	0.000	1	123.2350	0.000	1	123.1418	0.364	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:O-1:	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(H)(O)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(H)(O)	122.2640	0.000	1	122.2640	0.000	1	122.9260	0.876	2	123.1418	0.364	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:H-1:O-1:	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(NC[6]H)(H)(O)	N(C[6]C[6]2H)(CHO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(H)(O)	123.5880	0.000	1	123.5880	0.000	1	122.9260	0.876	2	123.1418	0.364	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-1:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(O)2	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(O)2	123.4800	0.000	1	123.4800	0.000	1	123.4800	0.000	1	123.1418	0.364	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[3,6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(NC[6]H)(OC)(O)	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[5,6]C[6]H)(COO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(NC[6]H)(OC)(O)	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:H-1:	N(C[6]C[6]2H)(CHN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NC[6a])(H)	N(C[6]C[6]2H)(CHN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NC[6a])(H)	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NS)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NS)(O)	123.1310	0.488	3	123.1310	0.238	3	123.1310	0.238	3	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(OC)(O)	121.6912	1.443	6	121.6063	1.514	8	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(NC[6]H)(OC)(O)	121.3515	0.117	2	121.6063	1.514	8	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|P<4>}	C(NC[6]H)(OC)(O)	121.5950	0.000	1	121.5950	0.000	1	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,1|H<1>,1|I<1>,1|O<2>}	C(NC[6]H)(OC)(O)	120.6070	0.000	1	121.8817	1.005	4	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(OC)(O)	122.3067	0.651	3	121.8817	1.005	4	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|O<2>,2|H<1>}	C(NC[6]H)(OC)(O)	120.3740	0.000	1	120.3740	0.000	1	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,1|C<4>,3|H<1>}	C(NC[6]H)(OC)(O)	121.9860	0.081	2	122.8224	2.249	8	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(OC)(O)	122.7180	1.767	4	122.8224	2.249	8	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(NC[6]H)(OC)(O)	125.0390	0.000	1	122.8224	2.249	8	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	C(NC[6]H)(OC)(O)	122.6960	0.000	1	122.8224	2.249	8	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(OC[6])(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(OC[6])(O)	124.6205	0.317	2	124.6205	0.101	2	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(OC[6a])(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(OC[6a])(O)	122.0022	0.733	13	122.0022	0.537	13	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(OC)(O)	122.3215	0.603	2	122.3215	0.364	2	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C(NC[6]H)(OC)(O)	123.4420	0.000	1	123.4420	0.000	1	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2H)(COO)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]H)(OC)(O)	126.4640	0.000	1	126.4640	0.000	1	122.3108	1.944	41	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:S-2:O-1:	N(C[6]C[6]2H)(COS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(SC[6a])(O)	N(C[6]C[6]2H)(COS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(SC[6a])(O)	122.2710	0.000	1	122.2710	0.000	1	122.2710	0.000	1	122.3396	1.870	48	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:C-2:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NC[6a])(CC)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NC[6a])(CC)	122.9815	0.151	2	122.9815	0.023	2	122.9815	0.023	2	123.9490	1.994	9	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:S-2:N-2:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(SPt)(NN)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(SPt)(NN)	126.2600	0.000	1	126.2600	0.000	1	124.2254	2.253	7	123.9490	1.994	9	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:S-2:N-2:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(SSn)(NN)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(SSn)(NN)	123.8863	1.318	6	123.8863	1.738	6	124.2254	2.253	7	123.9490	1.994	9	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:C-4:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(NC[6a])(CC3)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NC[6a])(CC3)	129.0740	0.000	1	129.0740	0.000	1	129.0740	0.000	1	129.0740	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[5,6]C[6]H)(CNO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[5,6]C[6]H)(CNO)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C(NC[6a]H)(NC[6]H)(O)	120.7040	0.000	2	120.7040	0.000	2	120.7040	0.000	2	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6,6]C[6]H)(CNO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6,6]C[6]H)(CNO)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C(NC[6a]H)(NC[6]H)(O)	121.9000	0.000	2	121.9000	0.000	2	121.9000	0.000	2	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-3:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[5a]O)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[5a]O)(NC[6]H)(O)	121.6310	1.246	2	121.6310	1.552	2	123.3156	2.945	5	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-3:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[6a]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[6a]C)(NC[6]H)(O)	125.0530	0.000	1	125.0530	0.000	1	123.3156	2.945	5	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-3:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[6a]O)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[6a]O)(NC[6]H)(O)	124.1315	0.448	2	124.1315	0.200	2	123.3156	2.945	5	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5,6]C[5])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5,6]C[5])(NC[6]H)(O)	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:N-3:H-1:	N(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(H)	N(C[6]C[6]2H)(CC[5a]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5a]C[5a]N[5a])(NC[6]H)(H)	122.9842	2.133	11	122.9842	4.548	11	122.9842	4.548	11	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H)	C(C[5a]C[5a,6a]N[5a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5a]C[5a,6a]N[5a])(NC[6]H)(O)	122.3805	0.584	4	122.3805	0.341	4	123.0852	0.728	10	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5a]C[5a]N[5a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C(C[5a]C[5a]N[5a])(NC[6]H)(O)	123.5550	0.666	6	123.5550	0.443	6	123.0852	0.728	10	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N-3:H-1:	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6])(NC[6]H)(H)	123.1895	0.573	2	123.1895	0.329	2	122.3492	2.853	4	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N-3:H-1:	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6]C[6]2)(NC[6]H)(H)	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NC[6]H)(H)	119.8650	0.000	1	119.8650	0.000	1	122.3492	2.853	4	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N-3:H-1:	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6]C[6]2)(NC[6]H)(H)	N(C[6]C[6]2H)(CC[6]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NC[6]H)(H)	123.1530	0.000	1	123.1530	0.000	1	122.3492	2.853	4	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6]C[6]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2)(NC[6]H)(O)	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-3:N-3:S-1:	N(C[6]C[6]2H)(CC[6]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6]C[6]N[6])(NC[6]H)(S)	N(C[6]C[6]2H)(CC[6]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]N[6])(NC[6]H)(S)	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:	N(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)	N(C[6]C[6]2H)(CC[6a]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(H)	122.5167	2.526	7	122.5167	6.380	7	122.5167	6.380	7	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.7350	0.000	1	122.7350	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	123.6950	0.000	1	123.6950	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.8640	0.000	1	122.8640	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]CH)(NCH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[6a]C[6a]2)(NC[6]H)(O)	121.9880	0.000	1	121.9880	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.5110	0.291	3	123.5110	0.084	3	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	119.7180	0.000	1	119.7180	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.6500	0.000	1	122.7040	0.006	2	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.7580	0.000	1	122.7040	0.006	2	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.5614	2.379	7	123.5614	5.658	7	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|N<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	125.4140	0.000	1	125.4140	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	123.9450	0.000	1	123.9450	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HP)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	124.3120	0.000	1	124.3120	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HS)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.7060	1.462	2	122.7060	2.138	2	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(C[6a]C[6a,6a]C[6a])(NC[6]H)(O)	120.4980	0.000	1	120.4980	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.7860	0.816	20	122.8557	0.670	22	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(C[6a]C[6a]2)(NC[6]H)(O)	123.5530	0.577	2	122.8557	0.670	22	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.7950	0.000	1	122.7950	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|N<2>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	124.1470	0.000	1	124.1470	0.000	1	123.0047	1.794	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:H-1:	N(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCH)(H)	N(C[6]C[6]2H)(CCH)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCH)(H)	121.6320	0.000	1	121.6320	0.000	1	121.6320	0.000	1	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H)	C(NC[6]H)(CCH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(NCH)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>}	C(NC[6]H)(CCH)(O)	121.1940	0.000	1	121.1940	0.000	1	122.8382	0.468	13	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCC)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(NC[6]H)(CCC)(O)	122.4230	0.000	1	122.4230	0.000	1	122.8382	0.468	13	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCH)(O)	123.0053	0.460	6	122.8641	0.225	8	122.8382	0.468	13	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(NC[6]H)(CCH)(O)	122.4405	0.192	2	122.8641	0.225	8	122.8382	0.468	13	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCN)(O)	123.5010	0.000	1	123.5010	0.000	1	122.8382	0.468	13	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(COO)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(COO)(O)	123.3680	0.000	1	123.3680	0.000	1	122.8382	0.468	13	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HH)2(NCH)(H)	C(NC[6]H)(CCC)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]HH)2(NCH)(H){1|C<4>}	C(NC[6]H)(CCC)(O)	123.4980	0.000	1	123.4980	0.000	1	122.8382	0.468	13	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:S-1:	N(C[6]C[6]2H)(CCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(COO)(S)	N(C[6]C[6]2H)(CCS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(COO)(S)	121.7965	0.175	2	121.7965	0.031	2	121.7965	0.031	2	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(NC[6a]H)(NC[6]H)(O)	124.7290	0.761	2	124.7290	0.579	2	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NCH)(O)	120.9570	0.250	2	120.9570	0.063	2	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<3>,4|H<1>}	C(NC[6a]H)(NC[6]H)(O)	123.6550	0.000	1	122.4381	2.821	9	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,3|H<1>}	C(NC[6a]H)(NC[6]H)(O)	119.3460	0.000	1	122.4381	2.821	9	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(NC[6]H)(O)	122.7060	1.355	7	122.4381	2.821	9	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NC[6]H)(O)	122.7202	0.961	16	122.7202	0.924	16	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NCC)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NCC)(O)	122.1480	0.718	2	122.1480	0.516	2	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NCH)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NCH)(O)	121.7830	1.056	2	121.7830	1.116	2	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NHS)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NHS)(O)	122.0015	0.965	4	122.0015	0.932	4	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6a]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6a]C)(NC[6]H)(O)	120.2020	0.000	1	120.2020	0.000	1	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(NC[6]H)(O)	120.9300	0.000	1	122.0820	2.654	2	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6a]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	C(NC[6a]H)(NC[6]H)(O)	123.2340	0.000	1	122.0820	2.654	2	122.4268	1.727	40	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NCH)(S)	124.9524	0.874	16	124.9524	0.764	16	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(NC[6]H)(S)	126.7537	1.526	6	126.7537	2.329	6	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NCH)(S)	125.2245	1.628	2	125.2063	1.327	3	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C(NC[6]H)(NCH)(S)	125.1700	0.000	1	125.2063	1.327	3	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NHN)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NHN)(S)	125.1751	1.033	14	125.1751	1.067	14	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(NC[6]H)(S)	125.4290	1.155	2	125.2807	0.676	4	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|H<1>}	C(NC[6a]H)(NC[6]H)(S)	124.5830	0.000	1	125.2807	0.676	4	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){5|C<4>}	C(NC[6a]H)(NC[6]H)(S)	125.6820	0.000	1	125.2807	0.676	4	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H)	C(NC[6a]H)(NC[6]H)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(NC[6a]H)(NC[6]H)(S)	124.7700	0.013	2	124.7700	0.000	2	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(NCH)(S)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,4|H<1>}	C(NC[6]H)(NCH)(S)	123.3345	0.193	2	123.3345	0.037	2	125.2162	1.402	47	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:Se-1:	N(C[6]C[6]2H)(CSeN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NCC)(Se)	N(C[6]C[6]2H)(CSeN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NCC)(Se)	126.3172	0.910	6	126.3172	0.828	6	126.3172	0.828	6	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:N-3:O-1:	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5]C[5]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5]C[5]2)(NC[6]H)(O)	122.9060	0.000	1	122.9060	0.000	1	122.0245	1.554	2	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:N-3:O-1:	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5]C[5]S[5])(NC[6]H)(O)	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5]C[5]S[5])(NC[6]H)(O)	121.1430	0.000	1	121.1430	0.000	1	122.0245	1.554	2	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:N-3:S-1:	N(C[6]C[6]2H)(CN[5]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5]C[5]2)(NC[6]H)(S)	N(C[6]C[6]2H)(CN[5]S)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5]C[5]2)(NC[6]H)(S)	125.7100	0.000	1	125.7100	0.000	1	125.7100	0.000	1	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:N-3:Se-1:	N(C[6]C[6]2H)(CN[5]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5]C[5]2)(NC[6]H)(Se)	N(C[6]C[6]2H)(CN[5]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5]C[5]2)(NC[6]H)(Se)	125.8215	0.332	2	125.8215	0.110	2	125.8215	0.110	2	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N-3:Se-1:	N(C[6]C[6]2H)(CN[6]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[6]C[6]2)(NC[6]H)(Se)	N(C[6]C[6]2H)(CN[6]Se)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)(Se)	126.0930	0.649	3	126.0930	0.421	3	126.0930	0.421	3	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-3:N-3:O-1:	N(C[6]C[6]2H)(COP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6a]2)(NC[6]H)(O)	N(C[6]C[6]2H)(COP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6a]2)(NC[6]H)(O)	122.2160	0.000	1	122.2160	0.000	1	122.2160	0.000	1	123.4689	3.267	209	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-3:N-3:O-2:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H)	C(C[5]C[5,6a]N[5])(NC[6]H)(OCo)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<4>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]N[5])(NC[6]H)(OCo)	120.8890	0.000	1	120.8890	0.000	1	121.0393	2.933	3	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-3:N-3:O-2:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[5]N[5]O[5])(NC[6]H)(OPd)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[5]N[5]O[5])(NC[6]H)(OPd)	121.1145	2.415	2	121.1145	5.831	2	121.0393	2.933	3	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:N-2:	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(NH)	122.6105	0.977	2	122.6105	0.954	2	122.8463	0.644	3	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:N-2:	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(NH)	N(C[6]C[6]2H)(CC[6a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(NH)	123.3180	0.000	1	123.3180	0.000	1	122.8463	0.644	3	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:C-2:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]Co)(NC[6]H)(CC)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]Co)(NC[6]H)(CC)	125.1840	1.375	2	125.1840	1.890	2	125.1792	1.216	4	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:C-2:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]Fe)(NC[6]H)(CC)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]Fe)(NC[6]H)(CC)	125.1745	1.326	2	125.1745	1.758	2	125.1792	1.216	4	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-2:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]C)(NC[6]H)(NS)	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NC[6]H)(NS)	123.7008	1.444	5	123.7008	2.086	5	122.6772	4.546	9	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-2:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)2(NC[6a])	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)2(NC[6a])	123.0730	2.188	2	123.0730	4.786	2	122.6772	4.546	9	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-2:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)2(NN)	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)2(NN)	119.7225	0.476	2	119.7225	0.226	2	122.6772	4.546	9	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-2:	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)2(STe)	N(C[6]C[6]2H)(CNS)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)2(STe)	126.5887	0.874	6	126.5887	0.764	6	126.5887	0.764	6	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5]C[5,5]C[5])(NC[6]H)(NC[6])	119.2830	0.000	1	119.2830	0.000	1	119.2830	0.000	1	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[5a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5a]C[5a,6a]C[5a])(NC[6]H)(NC[6])	122.5250	0.751	2	122.5250	0.564	2	121.9128	0.358	8	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5a]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[5a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[5a]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5a]C[5a]2)(NC[6]H)(NC[6])	121.7087	0.434	6	121.7087	0.188	6	121.9128	0.358	8	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)(NC[6])	124.9715	0.340	4	124.9715	0.116	4	124.9715	0.116	4	123.4335	5.252	38	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-3:	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CCH)	121.4350	0.000	1	121.4350	0.000	1	123.9845	13.000	2	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-3:	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	N(C[6]C[6]2H)(CC[6a]C)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(CCH)	126.5340	0.000	1	126.5340	0.000	1	123.9845	13.000	2	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:C-3:	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCH)(CCO)	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCH)(CCO)	128.6160	0.000	1	128.6160	0.000	1	128.6160	0.000	1	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:N-3:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCH)(NHH)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCH)(NHH)	128.9610	0.977	3	128.9610	0.955	3	128.9610	0.955	3	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-3:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[5]Pd)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[5]Pd)(NC[6]H)2	127.1005	1.090	2	127.1005	1.187	2	126.0474	2.360	10	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-3:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)3	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)3	126.1635	0.771	2	126.1635	0.595	2	126.0474	2.360	10	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-3:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]Yb)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]Yb)(NC[6]H)2	125.3195	3.477	2	125.3195	12.088	2	126.0474	2.360	10	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-3:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6a]H)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(NC[6]H)2	125.8268	1.136	4	125.8268	1.291	4	126.0474	2.360	10	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N-3:N-3:	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[6]C[6]2)(NC[6]H)2	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)2	127.7690	2.325	2	127.7690	5.405	2	127.7690	5.405	2	126.6378	4.811	18	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:C-4:	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CBrC)(CH3)	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CBrC)(CH3)	126.1647	1.127	4	126.1647	1.270	4	126.1647	1.270	4	126.5607	1.236	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:C-4:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)2(CCHH)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)2(CCHH)	127.3525	0.699	2	127.3525	0.489	2	127.3525	0.489	2	126.5607	1.236	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]HH)(NCH)(H){2|C<3>,2|C<4>,2|H<1>}	C(NC[6]H)(CH3)(O)	122.8340	0.000	1	122.8340	0.000	1	121.8812	1.896	6	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCl3)(O)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]HH)(NCH)(H){1|O<2>,2|H<1>,3|C<4>}	C(NC[6]H)(CCl3)(O)	119.8020	0.000	1	119.8020	0.000	1	121.8812	1.896	6	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CCl3)(O)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(NC[6]H)(CCl3)(O)	121.4180	0.421	2	121.4180	0.178	2	121.8812	1.896	6	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[5,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C(NC[6]H)(CH3)(O)	122.9075	1.240	2	122.9075	1.537	2	121.8812	1.896	6	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCl3)(O)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C(NC[6]H)(CCl3)(O)	121.4250	0.000	1	121.4250	0.000	1	122.5740	2.640	2	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(NCH)(H){3|H<1>,5|C<4>}	C(NC[6]H)(CH3)(O)	123.7230	0.000	1	123.7230	0.000	1	122.5740	2.640	2	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[5,6]HH)(NCH)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(NC[6]H)(CH3)(O)	122.6510	0.000	1	122.6510	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(NCH)(H){1|N<3>,2|C<4>,2|H<1>}	C(NC[6]H)(CH3)(O)	122.3960	0.000	1	122.3960	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(NC[6]H)(CH3)(O)	121.0470	0.000	1	121.0470	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CH3)(O)	123.3930	0.000	1	123.3930	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H)	C(NC[6]H)(CCl3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CCl3)(O)	119.1250	0.000	1	119.1250	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(O)	122.1202	1.125	4	122.1202	1.266	4	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCHN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<3>,3|H<1>}	C(NC[6]H)(CCHN)(O)	122.8542	1.344	5	122.1271	2.791	12	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCHN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHN)(O)	121.5015	1.922	6	122.1271	2.791	12	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CCHN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(NC[6]H)(CCHN)(O)	122.2450	0.000	1	122.1271	2.791	12	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCFF)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCFF)(O)	121.8808	1.196	4	121.8808	1.430	4	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(O)	123.0332	1.106	5	123.0332	1.222	5	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CCHN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHN)(O)	123.6275	1.352	16	123.6275	1.827	16	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(O)	124.0950	0.000	1	124.0950	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(O)	124.8095	0.974	2	124.8095	0.948	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CCl3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCH)(H){1|C<4>,1|I<1>,3|H<1>}	C(NC[6]H)(CCl3)(O)	123.1650	0.091	2	123.1650	0.008	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCCN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCCN)(O)	122.3730	2.615	2	122.3730	6.838	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCFF)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCFF)(O)	122.2860	0.000	1	122.2860	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(O)	124.5814	0.240	5	124.5814	0.058	5	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CCHN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CCHN)(O)	120.4460	0.000	1	120.4460	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<3>,3|H<1>}	C(NC[6]H)(CH3)(O)	125.8770	0.000	1	123.2129	2.051	7	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(O)	121.7600	0.042	2	123.2129	2.051	7	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(NC[6]H)(CH3)(O)	123.1690	0.648	3	123.2129	2.051	7	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|O<2>,2|C<3>,2|H<1>}	C(NC[6]H)(CH3)(O)	123.5860	0.000	1	123.2129	2.051	7	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CHHN)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CHHN)(O)	124.2630	0.000	1	124.2630	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CHHO)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CHHO)(O)	123.6000	0.044	2	123.6000	0.002	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CHHS)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CHHS)(O)	123.4715	0.103	2	123.4715	0.011	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]C[6]HO)(NCH)(H){1|C<3>,3|H<1>}	C(NC[6]H)(CH3)(O)	123.8910	1.057	5	123.8910	1.118	5	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HN)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C(NC[6]H)(CH3)(O)	123.3540	0.000	1	123.3540	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]N[6]CH)(NCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(NC[6]H)(CH3)(O)	120.5800	0.000	1	120.5800	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C(NC[6]H)(CH3)(O)	121.9020	0.000	1	122.7093	0.495	3	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]CH)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CH3)(O)	123.1130	0.113	2	122.7093	0.495	3	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HN)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CH3)(O)	121.9770	1.607	2	121.9770	2.581	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(NC[6]H)(CF3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CF3)(O)	122.3120	0.000	1	122.3120	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|N<2>}	C(NC[6]H)(CH3)(O)	122.2090	0.000	1	122.3901	0.655	12	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CH3)(O)	122.4065	0.847	11	122.3901	0.655	12	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CH3)(O)	123.4805	1.201	2	123.4805	1.443	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)2(NCH)(H)	C(NC[6]H)(CHHI)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HO)2(NCH)(H){1|C<4>,2|H<1>,2|O<2>}	C(NC[6]H)(CHHI)(O)	122.8910	0.000	1	122.8910	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]N[6]H)(C[6]O[6]CH)(NCH)(H){2|H<1>,3|C<4>}	C(NC[6]H)(CH3)(O)	121.6840	0.000	1	121.6840	0.000	1	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]N[5,6]HH)(C[6]C[6]HO)(NCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(NC[6]H)(CH3)(O)	121.6265	0.771	2	121.6265	0.595	2	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCH)(H){1|C<4>}	C(NC[6]H)(CH3)(O)	121.9008	0.170	4	121.9008	0.029	4	122.8367	1.964	107	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:P-4:O-1:	N(C[6]C[6]2H)(COP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(PO3)(O)	N(C[6]C[6]2H)(COP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(PO3)(O)	123.7040	0.000	1	123.7040	0.000	1	123.7040	0.000	1	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:O-1:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:	N(C[6]C[6,6]C[6]H)(CCH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H)	C(NC[6]O)(CCHH)(H)	N(C[6]C[6,6]C[6]H)(CCH)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]CO)(NCO)(H){1|C<4>,3|C<3>,3|H<1>}	C(NC[6]O)(CCHH)(H)	122.0460	0.000	1	122.0460	0.000	1	122.0460	0.000	1	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:1:	C[6]-4:C-3:O-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:H-1:	N(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]HH)2(NCO)(H)	C(NC[6]O)(CCCH)(H)	N(C[6]C[6]2H)(CCH)(O)	C[6](C[6]C[6]HH)2(NCO)(H){1|C<4>,4|H<1>}	C(NC[6]O)(CCCH)(H)	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	122.7737	1.952	118	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:N-2:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(CH3)(NS)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]BrH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(NS)	126.0870	0.000	1	126.0870	0.000	1	125.7125	0.281	2	125.7125	0.281	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:N-2:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(CH3)(NS)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(NS)	125.3380	0.000	1	125.3380	0.000	1	125.7125	0.281	2	125.7125	0.281	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:4:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:C-3:	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(CH3)(CCH)	N(C[6]C[6]2H)(CCC)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(CCH)	129.2105	0.380	2	129.2105	0.144	2	129.2105	0.144	2	129.2105	0.144	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H)	C(CC[6]HH)(NC[6]H)(O)	N(C[6]C[6,6]C[6]H)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2C)(NCH)(H){1|C<3>,4|H<1>,6|C<4>}	C(CC[6]HH)(NC[6]H)(O)	127.3500	0.000	1	127.3500	0.000	1	127.3500	0.000	1	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H)	C(C[6]C[6]N[6]H)(NC[6]H)(O)	N(C[6]C[6,6]C[6]H)(CC[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)(H){1|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6]N[6]H)(NC[6]H)(O)	125.9630	0.255	2	125.9630	0.065	2	125.9630	0.065	2	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(CC[5]CH)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(CC[5]CH)(NC[6]H)(O)	121.4870	0.000	1	121.4870	0.000	1	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(CC[6a]3)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(CC[6a]3)(NC[6]H)(O)	124.3315	0.824	2	124.3315	0.679	2	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(CC[6a]HN)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(CC[6a]HN)(NC[6]H)(O)	124.2127	1.106	4	124.2127	1.224	4	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[5,6]HO)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[5,6]HO)(NC[6]H)(O)	124.6240	0.000	1	124.6240	0.000	1	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[5]HH)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[5]HH)(NC[6]H)(O)	123.6670	0.382	2	123.6670	0.146	2	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[6]HN)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[6]HN)(NC[6]H)(O)	122.8840	0.000	1	122.8840	0.000	1	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[6a]HN)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[6a]HN)(NC[6]H)(O)	124.5530	1.631	2	124.5530	2.659	2	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[6a]HO)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[6a]HO)(NC[6]H)(O)	123.2100	0.000	1	123.2100	0.000	1	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CN[6a]CC)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CN[6a]CC)(NC[6]H)(O)	124.5900	0.000	1	124.5900	0.000	1	123.9166	1.229	15	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[3,4,5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	123.2225	0.683	4	122.6478	2.001	5	122.6478	2.001	5	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[3,4,5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[3,4,5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|N<3>,4|C<4>}	C(C[3,4,5]C[3,4,5]2C[3,5,5])(NC[6]H)(O)	120.3490	0.000	1	122.6478	2.001	5	122.6478	2.001	5	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5,6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5,6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5,6]C[5a,6]N[5,6]C[5])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5,6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(NC[6]H)(O)	121.1720	0.000	1	121.1720	0.000	1	121.1720	0.000	1	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:H-1:	N(C[6]C[6]2H)(CC[5]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5]2Fe)(NC[6]H)(H)	N(C[6]C[6]2H)(CC[5]H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(NC[6]H)(H)	127.6150	0.000	1	127.6150	0.000	1	127.6150	0.000	1	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(NC[6]H)(O)	122.2360	0.000	1	122.2360	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(NC[6]H)(O)	122.5250	0.000	1	122.5250	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5,6]N[5]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5,6]N[5]H)(NC[6]H)(O)	123.6870	0.000	1	123.6870	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5,6a]C[5]N[5])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5,6a]C[5]N[5])(NC[6]H)(O)	121.7310	0.000	1	121.7310	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5]N[5]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]N[5]C)(NC[6]H)(O)	120.7710	0.000	1	120.7710	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(NC[6]H)(O)	124.8490	0.484	2	124.8490	0.234	2	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(NC[6]H)(O)	124.4350	0.000	1	124.4350	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]N[5,6]C[5]C)(NC[6]H)(O)	121.6420	0.000	1	121.6420	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H)	C(C[5]C[5]2Fe)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(NCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2Fe)(NC[6]H)(O)	123.7520	0.000	1	123.7520	0.000	1	123.0477	2.153	10	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6]2H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6]H)(O)	121.5821	1.210	18	121.6116	1.246	22	121.9668	1.815	26	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H)	C(C[6]C[6]2H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)(H){2|C<4>,3|H<1>}	C(C[6]C[6]2H)(NC[6]H)(O)	121.7445	0.629	4	121.6116	1.246	22	121.9668	1.815	26	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6,6]H)(NC[6]H)(O)	124.8290	0.000	1	124.8290	0.000	1	121.9668	1.815	26	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	123.6610	0.223	2	123.6610	0.050	2	121.9668	1.815	26	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2N)(NC[6]H)(O)	123.5300	0.000	1	123.5300	0.000	1	121.9668	1.815	26	122.9781	3.202	61	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6]2B)(NC[6]H)(NC[6a])	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6]2B)(NC[6]H)(NC[6a])	128.2880	0.000	1	128.2880	0.000	1	124.8066	7.215	7	124.8066	7.215	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6]2Se)(NC[6]H)(NC[6])	128.9630	0.000	1	128.9630	0.000	1	124.8066	7.215	7	124.8066	7.215	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6a]2B)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6a]2B)(NC[6]H)(NC[6])	124.1150	0.000	1	124.1150	0.000	1	124.8066	7.215	7	124.8066	7.215	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6a]2S)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6a]2S)(NC[6]H)(NC[6])	123.6520	0.000	2	123.6520	0.000	2	124.8066	7.215	7	124.8066	7.215	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-2:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6a]2Se)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6a]2Se)(NC[6]H)(NC[6])	122.4880	0.000	2	122.4880	0.000	2	124.8066	7.215	7	124.8066	7.215	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:N-3:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(CC[6a]HH)(NC[6]Mg)(NC[6]H)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(CC[6a]HH)(NC[6]Mg)(NC[6]H)	128.3160	0.000	1	128.3160	0.000	1	128.3160	0.000	1	128.0151	3.173	14	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:N-3:	N(C[6]C[6]2H)(CC[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5]2Fe)(NC[6]H)2	N(C[6]C[6]2H)(CC[5]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(NC[6]H)2	127.4343	1.330	6	127.4343	1.769	6	127.4343	1.769	6	128.0151	3.173	14	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:C-3:	N(C[6]C[6]2H)(CC[6]C)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	N(C[6]C[6]2H)(CC[6]C)(H)	C[6](C[6]C[6,6]HH)2(NCH)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(NC[6]H)(CCH)	127.0510	0.417	2	127.0510	0.174	2	127.0510	0.174	2	128.0151	3.173	14	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-3:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[5]OW)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[5]OW)(NC[6]H)2	131.4895	1.709	2	131.4895	2.921	2	129.0376	5.757	5	128.0151	3.173	14	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-3:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6]2B)(NC[6]H)2	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6]2B)(NC[6]H)2	127.3765	0.252	2	127.3765	0.064	2	129.0376	5.757	5	128.0151	3.173	14	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	P-4:N-3:N-3:	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(PC[6a]2Mo)(NC[6]Mo)(NC[6]H)	N(C[6]C[6]2H)(CNP)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(PC[6a]2Mo)(NC[6]Mo)(NC[6]H)	127.4560	0.000	1	127.4560	0.000	1	129.0376	5.757	5	128.0151	3.173	14	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:2:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:C-2:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(CN)	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(NCH)(CN){1|C<4>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(NC[6]H)(O)	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	122.8350	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:1:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:H-1:O-1:	N(C[6]C[6]2C)(CHO)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(NCH)	C(NC[6]H)(H)(O)	N(C[6]C[6]2C)(CHO)(H)	C[6](C[6]C[6a]C[6]H)2(COO)(NCH){4|H<1>,5|C<3>}	C(NC[6]H)(H)(O)	128.3730	0.000	1	128.3730	0.000	1	128.3730	0.000	1	128.3730	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(NC[6]H)(OC)(O)	122.7673	3.278	3	122.7673	10.743	3	121.9544	6.782	5	121.9544	6.782	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C(NC[6]H)(OC)(O)	120.7350	0.827	2	120.7350	0.684	2	121.9544	6.782	5	121.9544	6.782	5	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(COO)(NCH){1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	121.4350	0.000	1	121.4350	0.000	1	124.2395	8.650	8	124.2395	8.650	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CNO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	125.0270	0.000	1	125.0270	0.000	1	124.2395	8.650	8	124.2395	8.650	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<3>,1|C<4>,3|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	129.1710	0.000	1	127.0590	8.921	2	124.2395	8.650	8	124.2395	8.650	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	124.9470	0.000	1	127.0590	8.921	2	124.2395	8.650	8	124.2395	8.650	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(COO)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<3>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	122.0925	0.914	2	122.0925	0.836	2	124.2395	8.650	8	124.2395	8.650	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)(NCH){3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	124.5755	4.119	2	124.5755	16.965	2	124.2395	8.650	8	124.2395	8.650	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:C-3:C-2:	N(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]2C)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)(CNO)(NCH){1|N<3>,3|C<4>,4|H<1>}	C(NC[6]H)(CCN)(CN)	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	122.4050	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6,6]-4:C[6]-4:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6,6]C[6]C)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6,6]C[6]C)(CCO)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHH)(NCH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(NC[6]H)(CH3)(O)	126.3850	0.000	1	126.3850	0.000	1	126.3850	0.000	1	122.4235	2.874	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]CC)(C[6]C[6]HO)(CCH)(NCH){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(O)	124.1750	0.000	1	124.1750	0.000	1	122.0273	1.275	10	122.4235	2.874	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(NC[6]H)(CCCN)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|N<3>,4|H<1>}	C(NC[6]H)(CCCN)(O)	122.7660	0.211	2	122.7660	0.044	2	122.0273	1.275	10	122.4235	2.874	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(NC[6]H)(CCHN)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(NC[6]H)(CCHN)(O)	121.5037	0.315	3	121.5037	0.099	3	122.0273	1.275	10	122.4235	2.874	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(COO)(NCH)	C(NC[6]H)(CH3)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(COO)(NCH){1|C<4>,4|H<1>}	C(NC[6]H)(CH3)(O)	121.0380	0.683	3	121.0380	0.466	3	122.0273	1.275	10	122.4235	2.874	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH)	C(NC[6]H)(CCl3)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(COO)(NCH){1|C<4>}	C(NC[6]H)(CCl3)(O)	122.9410	0.000	1	122.9410	0.000	1	122.0273	1.275	10	122.4235	2.874	11	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[5]-4:N-3:O-1:	N(C[6]C[6]2C)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(CNO)(NCH){1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(NC[6]H)(O)	121.9410	1.048	3	121.9410	1.098	3	121.9410	1.098	3	122.4691	2.814	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH)	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(CNO)(NCH){1|C<4>}	C(C[6]C[6]2N)(NC[6]H)(O)	123.1723	2.739	3	123.1723	7.503	3	122.7860	4.041	5	122.4691	2.814	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:3:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:N-3:	C[6]-4:N-3:O-1:	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(COO)(NCH)	C(C[6]C[6]2N)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6]O)(H)	C[6](C[6]O[6]HH)2(COO)(NCH){1|C<4>}	C(C[6]C[6]2N)(NC[6]H)(O)	122.2065	0.193	2	122.2065	0.037	2	122.7860	4.041	5	122.4691	2.814	8	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	C(NC[6]H)(OC)(O)	124.5070	0.000	1	124.5070	0.000	1	124.0510	0.416	2	124.0510	0.416	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CC[6a]HH)(NCH){1|C<3>,1|H<1>}	C(NC[6]H)(OC)(O)	123.5950	0.000	1	123.5950	0.000	1	124.0510	0.416	2	124.0510	0.416	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]H)(O)	126.5460	0.000	1	126.5460	0.000	1	126.6230	0.595	3	126.8243	0.559	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH)	C(C[6a]C[6a]2)(NC[6]H)(O)	N(C[6]C[6]2C)(CC[6a]O)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|C<3>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(NC[6]H)(O)	126.6615	1.087	2	126.6615	1.181	2	126.6230	0.595	3	126.8243	0.559	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:C-3:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]HH)2(CHHO)(NCH)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]O[6]HH)2(CHHO)(NCH){1|C<4>}	C(NC[6]H)(CNO)(O)	127.4280	0.000	1	127.4280	0.000	1	127.4280	0.000	1	126.8243	0.559	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C[6]-4:N-3:	N-3:C-3:C-2:	N(C[6]C[6]3)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]3)(CCC)(H)	C[6](C[6]C[6]2H)(C[6]C[6]HH)2(NCH){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	C(NC[6]H)(CCN)(CN)	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	118.8450	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH)	C(NC[6]H)(CCl3)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)(NCH){1|H<1>,1|O<2>,3|C<4>}	C(NC[6]H)(CCl3)(O)	126.5650	0.000	1	126.5650	0.000	1	125.8503	2.512	3	125.8503	2.512	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH)	C(NC[6]H)(CCHH)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CCHH)(NCH){1|C<4>,4|H<1>}	C(NC[6]H)(CCHH)(O)	126.9520	0.000	1	126.9520	0.000	1	125.8503	2.512	3	125.8503	2.512	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:1:	4:4:4:3:	3:4:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH)	C(NC[6]H)(CF3)(O)	N(C[6]C[6]2C)(CCO)(H)	C[6](C[6]C[6]HH)2(CH3)(NCH){1|Br<1>,1|C<4>,3|H<1>}	C(NC[6]H)(CF3)(O)	124.0340	0.000	1	124.0340	0.000	1	125.8503	2.512	3	125.8503	2.512	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:2:	3:3:3:1:	3:2:1:	C[6]-4:C-3:N-2:	C[6,6a]-3:N[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	C(NC[6]N)(OC)(O)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	C(NC[6]N)(OC)(O)	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	121.2340	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:2:	3:3:3:1:	3:4:1:	C[6]-4:C-3:N-2:	C[6,6a]-3:N[6]-3:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	C(NC[6]N)(CH3)(O)	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]N)(CH3)(O)	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:2:	4:4:3:1:	3:3:1:	C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H)	C(C[6a]C[6a]2)(NC[6]O)(O)	N(C[6]C[6]2H)(CC[6a]O)(OC[6])	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HH)(NCO)(H){2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(NC[6]O)(O)	123.4955	0.054	2	123.4955	0.003	2	123.4955	0.003	2	123.4955	0.003	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:2:	4:4:3:2:	3:3:1:	C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:N-3:C-2:	N-3:N-3:O-1:	N(C[6]C[6]2C)(CNO)(OH)	C[6](C[6]C[6]HH)2(NCO)(CN)	C(NC[6a]H)(NC[6]O)(O)	N(C[6]C[6]2C)(CNO)(OH)	C[6](C[6]C[6]HH)2(NCO)(CN){1|C<4>,4|H<1>}	C(NC[6a]H)(NC[6]O)(O)	118.1010	0.194	2	118.1010	0.038	2	118.1010	0.038	2	118.1010	0.038	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	2:4:3:1:	3:3:1:	C[6]-4:C[6a]-3:C-3:	O[6]-2:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H)	C(NC[6a]C[6])(CCH)(O)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](O[6]C[6,6a])(C[6]C[6]CC)(NC[6a]C)(H){1|O<1>,2|C<3>}	C(NC[6a]C[6])(CCH)(O)	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	3:3:4:3:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-3:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(CCO)(COO)	C[6](C[6]C[6]H)2(CCHH)(NCC)	C(NC[6]C)(OC)(O)	N(C[6]C[6]2C)(CCO)(COO)	C[6](C[6]C[6]H)2(CCHH)(NCC){1|C<4>,2|H<1>}	C(NC[6]C)(OC)(O)	117.5430	0.000	1	117.5430	0.000	1	117.5430	0.000	1	119.9130	4.261	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	3:3:4:3:	3:2:1:	C[6]-4:C-3:N-3:	C[6,6a]-3:C[6]-3:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN)	C(NC[6]N)(OC)(O)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(NCN){1|C<4>,1|H<1>,3|C<3>}	C(NC[6]N)(OC)(O)	121.0980	0.310	2	121.0980	0.096	2	121.0980	0.096	2	119.9130	4.261	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	3:3:4:3:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-3:C[6]-3:C-4:N-3:	N-3:C-4:O-1:	N(C[6]C[6]2C)(CCO)(COO)	C[6](C[6]C[6]H)2(CCHH)(NCC)	C(NC[6]C)(CH3)(O)	N(C[6]C[6]2C)(CCO)(COO)	C[6](C[6]C[6]H)2(CCHH)(NCC){1|C<4>,2|H<1>}	C(NC[6]C)(CH3)(O)	122.3200	0.000	1	122.3200	0.000	1	122.3200	0.000	1	122.3200	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	3:4:3:1:	3:4:1:	C[6]-4:N[5]-3:C-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	C(NC[6]N[5])(CF3)(O)	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C(NC[6]N[5])(CF3)(O)	127.7420	0.000	1	127.7420	0.000	1	127.7420	0.000	1	127.7420	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	3:4:3:3:	3:2:1:	C[6]-4:C-3:N-3:	C[6]-3:C[6]-4:C-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN)	C(NC[6]N)(OC)(O)	N(C[6]C[6]2C)(COO)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(CNS)(NCN){2|C<3>,2|H<1>}	C(NC[6]N)(OC)(O)	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	124.6770	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:2:3:1:	3:4:1:	C[6]-4:C[6a]-3:C-3:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H)	C(NC[6a]C[6])(CH3)(O)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NC[6a]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6a]C[6])(CH3)(O)	118.2720	2.235	3	118.2720	4.994	3	118.2720	4.994	3	118.2720	4.994	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:3:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H)	C(NC[6]C)(OC)(O)	N(C[6]C[6]2H)(COO)2	C[6](C[6]C[6]HH)(C[6]N[6]O)(NCC)(H){2|C<4>,2|H<1>}	C(NC[6]C)(OC)(O)	116.6535	0.808	2	116.6535	0.653	2	116.6535	0.653	2	116.6535	0.653	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:2:4:	C[6]-4:P-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:C-4:	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]P)(NC[6])(CH3)	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]P)(NC[6])(CH3)	116.0670	0.000	1	116.0670	0.000	1	116.0670	0.000	1	116.0670	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(O)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(O)	119.2930	0.000	1	119.2930	0.000	1	119.0429	0.944	17	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(O)	118.2448	0.376	5	118.2448	0.141	5	119.0429	0.944	17	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(O)	119.3750	1.050	9	119.3750	1.103	9	119.0429	0.944	17	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]N[6a])(NC[6]C)(O)	119.4190	1.088	2	119.4190	1.183	2	119.0429	0.944	17	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(CCH)(O)	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCH)(O)	122.5350	0.000	1	122.5350	0.000	1	122.5350	0.000	1	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NC[6]H)(O)	117.1388	1.183	4	117.1388	1.400	4	117.6421	0.780	18	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NC[6]H)(O)	117.3030	0.000	1	117.3030	0.000	1	117.6421	0.780	18	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NCC)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NCC)(O)	116.8080	0.000	1	116.8080	0.000	1	117.6421	0.780	18	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[6a]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NC[6]H)(O)	117.6274	0.409	10	117.6274	0.167	10	117.6421	0.780	18	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NCC)(O)	N(C[6]C[6]2H)(CNO)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NCC)(O)	119.0220	0.000	1	119.0220	0.000	1	117.6421	0.780	18	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CNO)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NC[6]H)(O)	N(C[6]C[6]2H)(CNO)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NC[6]H)(O)	119.5950	0.000	1	119.5950	0.000	1	117.6421	0.780	18	118.4395	1.793	36	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-2:	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NC[6]H)(NS)	N(C[6]C[6]2H)(CC[6a]O)(CNN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NC[6]H)(NS)	118.1062	0.538	5	118.1062	0.290	5	117.9323	0.413	6	117.9136	0.347	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-2:	N(C[6]C[6]2H)(CNN)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]Al)(NC[6]C)(NC[6a])	N(C[6]C[6]2H)(CNN)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]Al)(NC[6]C)(NC[6a])	117.0630	0.000	1	117.0630	0.000	1	117.9323	0.413	6	117.9136	0.347	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:P-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N-3:N-2:	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H)	C(N[6]C[6]2)(NC[6]P)(NC[6])	N(C[6]C[6]2H)(PC[6a]2)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]P)(NC[6])	117.8010	0.000	1	117.8010	0.000	1	117.8010	0.000	1	117.9136	0.347	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-3:	N(C[6]C[6]2H)(CNN)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6a]Al)(NC[6]C)(NCC)	N(C[6]C[6]2H)(CNN)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6a]Al)(NC[6]C)(NCC)	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	118.8920	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CCHH)(O)	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CCHH)(O)	118.6430	0.676	3	118.6430	0.457	3	118.8730	0.766	7	118.8730	0.766	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CH3)(O)	N(C[6]C[6]2H)(CCO)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CH3)(O)	119.7950	0.000	1	119.7950	0.000	1	118.8730	0.766	7	118.8730	0.766	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H)	C(NC[6]C)(CH3)(O)	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CH3)(O)	117.5690	0.000	1	117.5690	0.000	1	118.8730	0.766	7	118.8730	0.766	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(CH3)(O)	N(C[6]C[6]2H)(CCO)2	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(CH3)(O)	119.4090	0.629	2	119.4090	0.396	2	118.8730	0.766	7	118.8730	0.766	7	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[6]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6]C[6]2H)(NC[6]C)(O)	N(C[6]C[6]2H)(CC[6]O)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6]C)(O)	119.6110	0.000	1	119.6110	0.000	1	118.1380	4.339	2	118.1380	4.339	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C-3:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	N(C[6]C[6]2H)(CC[6a]O)(CC[6]O)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	116.6650	0.000	1	116.6650	0.000	1	118.1380	4.339	2	118.1380	4.339	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	3:3:1:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(O)	N(C[6]C[6]2H)(CC[6a]O)(CH3)	C[6](C[6]C[6]HH)(C[6]O[6]CH)(NCC)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(O)	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	119.0450	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	3:3:3:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:C-3:	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]C)(CCH)	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	123.5570	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:3:4:	4:4:3:1:	4:3:3:	C[6]-4:C-3:C-4:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:C-3:	N(C[6]C[6]2H)(CC[6]C)(CH3)	C[6](C[6]C[6,6]HH)2(NCC)(H)	C(C[6]C[6]2H)(NC[6]C)(CHN)	N(C[6]C[6]2H)(CC[6]C)(CH3)	C[6](C[6]C[6,6]HH)2(NCC)(H){2|H<1>,3|C<4>}	C(C[6]C[6]2H)(NC[6]C)(CHN)	123.9170	0.359	2	123.9170	0.129	2	123.9170	0.129	2	123.9170	0.129	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:S-4:C-3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C-3:N-3:H-1:	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	C(CC[6a]C)(NC[6]S)(H)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	C(CC[6a]C)(NC[6]S)(H)	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	3:3:3:1:	4:3:1:	C[6]-4:S-4:C-3:	C[6,6a]-3:C[6]-3:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H)	C(CC[6a]C[6]H)(NC[6]S)(O)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H){1|C<4>,1|H<1>,4|C<3>}	C(CC[6a]C[6]H)(NC[6]S)(O)	122.4640	0.000	1	122.4640	0.000	1	122.4640	0.000	1	122.4640	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:P-4:C-3:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	C(NC[6]P)(OC)(O)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]P)(OC)(O)	119.0355	3.869	2	119.0355	14.966	2	119.0355	14.966	2	119.0355	14.966	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:2:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:O[6]-2:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H)	C(NC[6]C)(CH3)(O)	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C[6](C[6]C[6]HO)(O[6]C[6])(NCC)(H){1|O<2>,2|C<4>,2|H<1>}	C(NC[6]C)(CH3)(O)	120.4750	0.000	1	120.4750	0.000	1	120.4750	0.000	1	120.4750	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H)	C(NC[6]C)(OC)(O)	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCC)(H){1|C<4>,3|H<1>}	C(NC[6]C)(OC)(O)	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	119.1340	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:3:3:1:	3:4:2:	C[6]-4:S-4:C-3:	C[6]-4:C[6]-3:N-3:H-1:	N-3:C-4:N-2:	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H)	C(NC[6]S)(CH3)(NC)	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCS)(H){2|C<4>,2|H<1>}	C(NC[6]S)(CH3)(NC)	118.6100	0.000	1	118.6100	0.000	1	118.6100	0.000	1	118.6100	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:3:4:3:	3:2:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-3:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(CH3)(COO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC)	C(NC[6]C)(OC)(O)	N(C[6]C[6]2C)(CH3)(COO)	C[6](C[6]N[6]HH)(C[6]C[6]N)(CH3)(NCC){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]C)(OC)(O)	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	123.2220	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:1:1:	C[6]-4:C-4:C-3:	C[6,6]-4:C[6]-4:N-3:H-1:	N-3:H-1:O-1:	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H)	C(NC[6]C)(H)(O)	N(C[6]C[6,6]C[6]H)(CH3)(CHO)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[5,6,6]HH)(NCC)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(NC[6]C)(H)(O)	116.6675	0.810	2	116.6675	0.656	2	116.6675	0.656	2	116.6675	0.656	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(CH3)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H)	C(NC[6]C)(OC)(O)	N(C[6]C[6]2H)(CH3)(COO)	C[6](C[6]C[6]CH)(C[6]N[6]HH)(NCC)(H){1|C<3>,1|C<4>,2|H<1>}	C(NC[6]C)(OC)(O)	118.2400	0.000	1	118.2400	0.000	1	118.2400	0.000	1	119.9703	6.870	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:S-2:O-1:	N(C[6]C[6]2H)2(COS)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(SS)(O)	N(C[6]C[6]2H)2(COS)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(SS)(O)	120.8355	3.041	2	120.8355	9.249	2	120.8355	9.249	2	119.9703	6.870	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:2:2:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:S-2:S-2:	N(C[6]C[6]2H)(CH3)(CSS)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(SPd)2	N(C[6]C[6]2H)(CH3)(CSS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(SPd)2	120.4160	0.000	2	120.4160	0.000	2	120.4160	0.000	2	119.6202	0.969	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:N-2:	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(NC[6a])2	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(NC[6a])2	119.2223	0.991	4	119.2223	0.982	4	119.2223	0.982	4	119.6202	0.969	6	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:2:3:	C[6]-4:Si-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:N-3:	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H)	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	C(NC[6]Si)(NC[6])(NSi2)	121.1260	0.000	1	121.1260	0.000	1	121.1260	0.000	1	121.1260	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:2:4:	C[6]-4:Ge-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:C-4:	N(C[6]C[6]2H)(GeSe2N)(CCN)	C[6](C[6]C[6]HH)2(NGeC)(H)	C(NC[6]Ge)(NC[6])(CH3)	N(C[6]C[6]2H)(GeSe2N)(CCN)	C[6](C[6]C[6]HH)2(NGeC)(H){1|C<4>,4|H<1>}	C(NC[6]Ge)(NC[6])(CH3)	124.2375	0.631	2	124.2375	0.399	2	124.2375	0.399	2	124.2375	0.399	2	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:H-1:	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H)	C(C[6a]C[6a]2)(NC[6]C)(H)	N(C[6]C[6]2H)(CC[6a]CH)(CC[6a]H)	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(NCC)(H){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(NC[6]C)(H)	117.6000	0.000	1	117.6000	0.000	1	117.6000	0.000	1	120.4575	3.744	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:H-1:	N(C[6]C[6]2H)(CCHH)(CHN)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)2(H)	N(C[6]C[6]2H)(CCHH)(CHN)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)2(H)	118.7150	0.840	2	118.7150	0.706	2	118.7150	0.706	2	120.4575	3.744	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6]2H)(CH3)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6a]H)(NC[6]C)(O)	N(C[6]C[6]2H)(CH3)(CNO)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(NC[6]C)(O)	117.7450	0.000	1	117.7450	0.000	1	117.7450	0.000	1	120.4575	3.744	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:S-1:	N(C[6]C[6]2H)(CH3)(CNS)	C[6](C[6]C[6]HH)2(NCC)(H)	C(NC[6]C)(NCH)(S)	N(C[6]C[6]2H)(CH3)(CNS)	C[6](C[6]C[6]HH)2(NCC)(H){1|C<4>,4|H<1>}	C(NC[6]C)(NCH)(S)	120.4200	0.000	1	120.4200	0.000	1	120.4200	0.000	1	120.4575	3.744	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)2(CC[6a]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(C[6a]C[6a]2)(NC[6]2)(O)	N(C[6]C[6]2H)2(CC[6a]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(NC[6]2)(O)	121.3235	1.816	8	121.3235	3.298	8	121.3235	3.298	8	120.4575	3.744	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CCH)(O)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CCH)(O)	120.9770	1.721	2	120.9770	2.962	2	120.9770	2.962	2	120.4575	3.744	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:S-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-3:O-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C[6](C[6]C[6]HH)2(NCS)(H)	C(NC[6]S)(COO)(O)	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(NC[6]S)(COO)(O)	121.5830	0.000	1	121.5830	0.000	1	121.5830	0.000	1	120.4575	3.744	16	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-2:	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6a]As)(NC[6]2)(NC[6a])	N(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6a]As)(NC[6]2)(NC[6a])	118.6955	2.119	2	118.6955	4.491	2	118.6955	4.491	2	117.6020	5.833	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:2:	C[6]-4:Si-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-2:	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H)	C(NC[6]Al)(NC[6]Si)(NC[6])	N(C[6]C[6]2H)(SiC3)(CNN)	C[6](C[6]C[6]HH)2(NSiC)(H){1|C<4>,4|H<1>}	C(NC[6]Al)(NC[6]Si)(NC[6])	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	117.6020	5.833	3	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:4:	C[6]-4:P-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:C-4:	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H)	C(NC[6]Pd)(NC[6]P)(CH3)	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(NC[6]Pd)(NC[6]P)(CH3)	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CCHH)(CCO)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H)	C(NC[6]C)(CF3)(O)	N(C[6]C[6]2H)(CCHH)(CCO)	C[6](C[6]O[6]CH)(C[6]O[6]HH)(NCC)(H){1|C<4>}	C(NC[6]C)(CF3)(O)	118.4170	0.000	1	118.4170	0.000	1	118.5390	0.079	3	120.8717	3.847	15	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H)	C(NC[6]C)(CF3)(O)	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(NCC)(H){1|C<4>,2|H<1>,2|O<2>}	C(NC[6]C)(CF3)(O)	118.6000	0.369	2	118.6000	0.136	2	118.5390	0.079	3	120.8717	3.847	15	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CClHH)(O)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CClHH)(O)	121.5305	2.150	2	121.5305	4.624	2	121.4549	3.027	12	120.8717	3.847	15	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CH3)(O)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|N<3>,4|C<4>}	C(NC[6]2)(CH3)(O)	121.4410	2.233	2	121.4410	4.986	2	121.4549	3.027	12	120.8717	3.847	15	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CHHI)(O)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CHHI)(O)	121.5305	2.456	2	121.5305	6.031	2	121.4549	3.027	12	120.8717	3.847	15	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CHHO)(O)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CHHO)(O)	121.4038	1.657	4	121.4038	2.746	4	121.4549	3.027	12	120.8717	3.847	15	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:4:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N-3:C-4:O-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(NC[6]2)(CHNO)(O)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6]2)(CHNO)(O)	121.4200	3.063	2	121.4200	9.383	2	121.4549	3.027	12	120.8717	3.847	15	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C-4:N-3:O-1:	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(CC[6a]CH)(NC[6]2)(O)	N(C[6]C[6]2H)2(CCO)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(CC[6a]CH)(NC[6]2)(O)	121.4930	2.961	2	121.4930	8.770	2	121.4930	8.770	2	121.7773	6.639	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP2_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[6]-4:N-3:O-1:	N(C[6]C[6]2H)2(CC[6]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H)	C(C[6]C[6]2H)(NC[6]2)(O)	N(C[6]C[6]2H)2(CC[6]O)	C[6](C[6]C[6]HH)2(NC[6]C)(H){1|C<4>,4|H<1>}	C(C[6]C[6]2H)(NC[6]2)(O)	122.0615	3.290	2	122.0615	10.825	2	122.0615	10.825	2	121.7773	6.639	4	122.6596	7.421	871	122.8247	7.744	963
956	466	930	0:SP3_SP2_SP3	N	C[3x6]	C	4:3:1:	4:4:4:3:	3:3:2:	C[3x6]-4:C-3:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N-3:	C[6]-3:N-3:O-2:	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH)	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	N(C[3x6]C[6,6]3)(CC[6]O)(H)	C[3x6](C[6,6]C[3x6]HH)3(NCH){3|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6])(NC[3x6]H)(OMg)	127.8640	0.000	1	127.8640	0.000	1	127.8640	0.000	1	127.8640	0.000	1	127.8640	0.000	1	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6,6]	C	4:3:1:	4:4:4:3:	3:2:1:	C[6,6]-4:C-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-4:N-3:	N-3:O-2:O-1:	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH)	C(NC[6,6]H)(OC)(O)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]CH)(C[6]C[6]HO)(NCH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(NC[6,6]H)(OC)(O)	123.3770	0.000	1	123.3770	0.000	1	123.3770	0.000	1	123.3770	0.000	1	123.3770	0.000	1	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	3:4:1:	4:4:3:1:	6:3:2:	C-3:C[6]-4:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5x3,5x5,20x6]-6:N-3:N-2:	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	N(CC[5x3,5x5,20x6]N)(C[6]C[6]2H)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(NC[6]H)(NC[6])	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	3:3:3:3:	3:2:1:	C[6]-4:C-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:N-3:	N-3:O-2:O-1:	N(C[6]C[6a]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6a]C[6]N[6])(COO)(H)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C(NC[6]H)(OC)(O)	124.6230	0.000	1	124.6230	0.000	1	124.6230	0.000	1	124.6230	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(NC[6]H)(OC)(O)	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	119.6545	0.165	2	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:2:1:	C[6]-4:C-3:H-1:	N[5,6]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]N[5,6]C[6]H)(COO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	C(NC[6]H)(OC)(O)	N(C[6]N[5,6]C[6]H)(COO)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C(NC[6]H)(OC)(O)	119.9420	0.000	1	119.9420	0.000	1	119.9420	0.000	1	119.6545	0.165	2	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	3:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:N-3:H-1:	N-3:N-3:O-1:	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C(NC[6]H)2(O)	N(C[6]C[6,6a]C[6]H)(CNO)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C(NC[6]H)2(O)	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	4:3:4:3:	3:2:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-3:C-4:N-3:	N-3:O-2:O-1:	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH)	C(NC[6]H)(OC)(O)	N(C[6]C[6]2C)(COO)(H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(CCHH)(NCH){1|C<4>,3|H<1>}	C(NC[6]H)(OC)(O)	118.7480	0.000	1	118.7480	0.000	1	118.7480	0.000	1	118.7480	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:N-3:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[6]H)(NC[6])(NCC)	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NC[6])(NCC)	120.2305	2.016	2	120.2305	4.064	2	120.2305	4.064	2	120.2305	4.064	2	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:2:4:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-2:C-4:	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H)	C(NC[6]H)(NC[6a])(CC3)	N(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(NCH)(H){1|C<4>,4|H<1>}	C(NC[6]H)(NC[6a])(CC3)	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[5]-3:N-3:O-1:	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[5]C[5]2)(NC[6]H)(O)	N(C[6]C[6]2H)(CN[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[5]C[5]2)(NC[6]H)(O)	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	122.0190	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N-3:N-2:	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(N[6]C[6]2)(NC[6]H)(NC[6])	N(C[6]C[6]2H)(CN[6]N)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]H)(NC[6])	121.3890	0.000	1	121.3890	0.000	1	121.3890	0.000	1	121.3890	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	3:3:3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	N-3:N-3:N-3:	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(NC[5]Pd)(NC[6]H)2	N(C[6]C[6]2H)(CNN)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(NC[5]Pd)(NC[6]H)2	122.2345	2.012	2	122.2345	4.047	2	122.2345	4.047	2	122.2345	4.047	2	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:1:	4:4:3:1:	4:3:1:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:N-3:H-1:	C[5]-4:N-3:O-1:	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H)	C(C[5]C[5]N[5]H)(NC[6]H)(O)	N(C[6]C[6]2H)(CC[5]O)(H)	C[6](C[6]C[6]HH)2(NCH)(H){1|C<4>,4|H<1>}	C(C[5]C[5]N[5]H)(NC[6]H)(O)	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	121.1200	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:2:	3:4:3:1:	3:2:1:	C[6]-4:C-3:O-2:	C[6]-3:C[6]-4:N-3:H-1:	N-3:O-2:O-1:	N(C[6]C[6]2H)(COO)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H)	C(NC[6]O)(OC)(O)	N(C[6]C[6]2H)(COO)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]HH)(NCO)(H){2|C<3>,2|H<1>}	C(NC[6]O)(OC)(O)	120.2570	0.000	1	120.2570	0.000	1	120.2570	0.000	1	120.2570	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:2:	4:3:3:1:	3:3:1:	C[6]-4:C-3:O-2:	C[6]-4:N[6]-3:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H)	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	C[6](C[6]C[5,6]HH)(N[6]C[6]C)(NCO)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(NC[6]O)(O)	133.1220	0.000	1	133.1220	0.000	1	133.1220	0.000	1	133.1220	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:3:2:	4:4:3:1:	3:3:1:	C[6]-4:C-3:O-2:	C[6]-4:C[6]-4:N-3:H-1:	C[6a]-3:N-3:O-1:	N(C[6]C[6]2H)(CC[6a]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H)	C(C[6a]C[6a]2)(NC[6]O)(O)	N(C[6]C[6]2H)(CC[6a]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]OO)(NCO)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(NC[6]O)(O)	128.8200	0.000	1	128.8200	0.000	1	128.8200	0.000	1	128.8200	0.000	1	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:S-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C-3:N-3:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C[6](C[6]C[6]HH)2(NCS)(H)	C(CC[6a]Si)(NC[6]S)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C[6](C[6]C[6]HH)2(NCS)(H){1|C<4>,4|H<1>}	C(CC[6a]Si)(NC[6]S)(H)	117.5110	0.000	1	117.5110	0.000	1	117.5110	0.000	1	117.0410	0.442	2	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:S-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	C[4]-3:N-3:H-1:	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H)	C(C[4]C[4]2)(NC[6]S)(H)	N(C[6]C[6]2H)(SC[6a]OO)(CC[4]H)	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NCS)(H){1|C<4>,4|H<1>}	C(C[4]C[4]2)(NC[6]S)(H)	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	117.0410	0.442	2	121.7160	16.940	20	122.0710	17.126	22
956	466	930	0:SP3_SP2_SP3	N	C[6]	C	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:P-4:C-3:	C[6]-4:C[6]-4:N-3:H-1:	N[6]-3:N-3:N-3:	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H)	C(N[6]C[6]2)(NC[6]Rh)(NC[6]P)	N(C[6]C[6]2H)(PC[6a]2Rh)(CN[6]N)	C[6](C[6]C[6]HH)2(NCP)(H){1|C<4>,4|H<1>}	C(N[6]C[6]2)(NC[6]Rh)(NC[6]P)	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	115.1380	0.000	1	121.7160	16.940	20	122.0710	17.126	22